Marvin 03190814082D 72 73 0 0 1 0 999 V2000 1.4289 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 -0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7145 1.6500 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 -2.0625 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7145 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 -0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8578 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5723 0.8250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -3.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7157 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -4.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8578 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1435 -0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 -5.3625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 -6.1875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4302 -7.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 -7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 -7.0125 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 5.7157 -7.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8578 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -5.3625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 6 0 0 0 1 45 1 0 0 0 0 45 49 1 6 0 0 0 2 1 1 0 0 0 0 2 14 1 6 0 0 0 45 3 1 0 0 0 0 2 4 1 0 0 0 0 4 16 1 6 0 0 0 3 5 1 0 0 0 0 5 19 1 6 0 0 0 4 6 1 0 0 0 0 6 21 1 1 0 0 0 5 7 1 0 0 0 0 7 24 2 0 0 0 0 6 8 1 0 0 0 0 8 27 2 0 0 0 0 9 7 1 0 0 0 0 9 31 1 1 0 0 0 8 10 1 0 0 0 0 11 9 1 0 0 0 0 11 35 1 1 0 0 0 12 10 1 0 0 0 0 12 39 1 6 0 0 0 44 12 1 0 0 0 0 11 44 1 0 0 0 0 44 48 1 6 0 0 0 15 13 1 6 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 20 16 1 6 0 0 0 17 22 1 0 0 0 0 17 67 1 1 0 0 0 18 23 1 0 0 0 0 20 25 1 0 0 0 0 20 26 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 6 0 0 0 23 30 1 6 0 0 0 23 28 1 0 0 0 0 25 38 1 0 0 0 0 26 32 1 0 0 0 0 29 33 1 0 0 0 0 29 34 1 0 0 0 0 32 37 1 1 0 0 0 32 36 1 0 0 0 0 38 36 1 0 0 0 0 36 72 1 6 0 0 0 38 41 1 6 0 0 0 38 43 1 1 0 0 0 39 40 1 0 0 0 0 41 42 1 0 0 0 0 44 46 1 1 0 0 0 45 47 1 1 0 0 0 50 64 1 0 0 0 0 64 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 61 65 1 0 0 0 0 65 62 2 0 0 0 0 65 63 1 0 0 0 0 65 66 2 0 0 0 0 67 68 1 0 0 0 0 68 70 1 0 0 0 0 68 69 2 0 0 0 0 70 71 1 0 0 0 0 M END > CHEBI:4846 > erythromycin estolate > 3 > propionylerythromycin lauryl sulfate; propionic acid, 2'-ester with erythromycin, dodecyl sulfate; PELS; monopropionylerythromycin laurylsulfate; lauryl sulfate propionyl erythromycin ester; erythromycin propionate, compound with dodecyl sulfate; Erythromycin estorate; Erythromycin estolate; erythromycin 2'-propionate dodecyl sulfate (salt) > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-4-(2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranosyloxy)-14-ethyl-7,12,13-trihydroxy-6-[3,4,6-trideoxy-3-(dimethylamino)-2-O-propanoyl-beta-D-xylo-hexopyranosyloxy]-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione dodecyl hydrogen sulfate > Stellamicina; Roxomicina; Neo-erycinum; Marcoeritrex; Lauromicina; Ilosone; Estomicina; Eromycin; Eritroger; Eriscel > C40H71NO14.C12H26O4S > 1056.38852 > 1055.64264 > 0 > CCCCCCCCCCCCOS(O)(=O)=O.CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2OC(=O)CC)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O > InChI=1S/C40H71NO14.C12H26O4S/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3;2-12H2,1H3,(H,13,14,15)/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-;/m1./s1 > AWMFUEJKWXESNL-JZBHMOKNSA-N > 3897327 > 3521-62-8 > 3521-62-8 > C08031 > D00851 > LMPK04000015 $$$$