Mrv0541 07301417382D 68 74 0 0 0 0 999 V2000 4.2617 -12.5113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9762 -12.9238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9762 -13.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5472 -12.9238 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2617 -14.1613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5472 -13.7488 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6920 -12.9239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6920 -13.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9775 -12.5114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4064 -13.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6920 -12.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9775 -14.1614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2630 -12.9239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4064 -11.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9775 -14.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 -12.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1209 -12.0989 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2629 -15.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8354 -11.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5500 -12.9242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -16.2239 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1196 -12.5114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9774 -16.6364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4051 -12.9238 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1196 -11.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -16.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9774 -17.4614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4051 -13.7488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2629 -17.8739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1195 -16.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6919 -17.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6907 -14.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2629 -18.6989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1196 -14.9864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 -12.0989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9774 -15.8114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5485 -18.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 -17.7099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5485 -17.4614 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8341 -12.9239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1196 -14.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2630 -13.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8340 -15.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5486 -14.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6907 -12.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8328 -12.5113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2617 -14.9863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8328 -14.1613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8328 -11.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1183 -13.7488 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1183 -12.9238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -14.1612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -12.5112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6894 -13.7487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6894 -12.9237 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0251 -14.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0251 -12.5112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4038 -11.6862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6894 -11.2737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5485 -16.6364 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5485 -15.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8352 -14.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1209 -12.9239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1209 -13.7489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8354 -13.3365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7447 -12.9258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 -12.5127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7454 -13.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 45 1 6 0 0 0 3 2 1 0 0 0 0 4 1 1 0 0 0 0 4 46 1 1 0 0 0 5 3 1 0 0 0 0 5 47 1 1 0 0 0 6 5 1 0 0 0 0 6 4 1 0 0 0 0 6 48 1 6 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 7 10 1 6 0 0 0 7 11 1 1 0 0 0 12 8 1 0 0 0 0 13 9 1 0 0 0 0 63 10 1 0 0 0 0 14 11 2 0 0 0 0 42 12 1 0 0 0 0 12 15 1 1 0 0 0 16 13 1 0 0 0 0 42 13 1 0 0 0 0 13 35 1 6 0 0 0 63 17 1 0 0 0 0 65 63 1 0 0 0 0 17 14 1 0 0 0 0 18 15 1 0 0 0 0 40 16 1 0 0 0 0 17 19 1 6 0 0 0 65 62 1 0 0 0 0 65 20 1 0 0 0 0 21 18 1 0 0 0 0 44 18 2 0 0 0 0 60 21 1 0 0 0 0 23 21 1 0 0 0 0 21 36 1 1 0 0 0 22 40 2 0 0 0 0 24 22 1 0 0 0 0 25 22 1 0 0 0 0 27 23 2 0 0 0 0 24 45 1 6 0 0 0 28 24 1 0 0 0 0 26 60 1 0 0 0 0 30 26 1 0 0 0 0 43 26 2 0 0 0 0 31 27 1 0 0 0 0 29 27 1 0 0 0 0 41 28 1 0 0 0 0 28 32 1 6 0 0 0 29 39 1 0 0 0 0 29 33 1 1 0 0 0 30 38 1 0 0 0 0 34 43 1 0 0 0 0 34 41 2 0 0 0 0 39 37 1 6 0 0 0 38 39 1 0 0 0 0 39 60 1 0 0 0 0 49 46 1 0 0 0 0 50 48 1 6 0 0 0 51 50 1 0 0 0 0 52 50 1 0 0 0 0 53 51 1 0 0 0 0 54 52 1 0 0 0 0 55 53 1 0 0 0 0 53 58 1 1 0 0 0 54 56 1 1 0 0 0 55 54 1 0 0 0 0 55 57 1 6 0 0 0 58 59 1 0 0 0 0 60 61 1 6 0 0 0 63 64 1 6 0 0 0 57 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 2 0 0 0 0 M END > CHEBI:82598 > eprinomectin component B1b > An avermectin analogue that is eprinomectin B1a in which the butan-2-yl substituent of the spiroketal moiety is replaced by an isopropyl group. > 3 > eprinomectin B1b; (4''R)-4''-(acetylamino)-5-O-demethyl-25-de(1-methylpropyl)-4''-deoxy-15-(1-methylethyl)avermectin A1a > (2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-6'-isopropyl-5',6,8,19-tetramethyl-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2'-pyran]-7-yl 4-O-(4-acetamido-2,4,6-trideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside > C49H73NO14 > 900.10220 > 899.50311 > 0 > CO[C@H]1C[C@H](O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]2[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]5C[C@@H](C\C=C2/C)O[C@@]2(C5)O[C@H](C(C)C)[C@@H](C)C=C2)[C@]34O)O[C@@H](C)[C@@H]1NC(C)=O > InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12+,27-15+,33-14+/t26-,28-,30-,31-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,48+,49+/m0/s1 > WPNHOHPRXXCPRA-UCRMFYOVSA-N > 133305-89-2 > 10757160 > 133305-89-2 $$$$