Mrv0541 11201315022D 45 50 0 0 0 0 999 V2000 4.5458 -10.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5458 -9.2042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5458 -10.8500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -10.4375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2542 -8.7875 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6917 -7.9792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8333 -8.7917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9833 -5.9792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -9.2042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6875 -10.0250 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9792 -6.8042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -10.4417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6792 -8.8000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1167 -10.0292 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2625 -7.2125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4750 -7.7333 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2708 -5.5625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -6.7917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9667 -10.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1167 -9.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4042 -10.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7417 -6.9542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5500 -5.9708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9792 -7.5583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2500 -7.9625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4583 -9.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9500 -8.4042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2667 -9.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0958 -9.3042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6875 -7.2208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -7.9667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5375 -8.3792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9750 -10.4375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8333 -11.2667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7000 -5.5708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6875 -7.1542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2792 -4.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 -7.4875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4125 -5.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1958 -6.3333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2542 -9.6125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3000 -7.7333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -6.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6792 -9.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9667 -8.3792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 1 0 0 0 4 1 1 0 0 0 0 2 5 1 0 0 0 0 13 6 1 0 0 0 0 2 7 1 0 0 0 0 8 17 2 0 0 0 0 9 19 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 1 12 1 0 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 18 15 1 0 0 0 0 6 16 1 0 0 0 0 17 23 1 0 0 0 0 22 18 1 0 0 0 0 4 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 1 0 0 0 16 22 1 0 0 0 0 18 23 1 0 0 0 0 24 25 1 0 0 0 0 5 25 1 0 0 0 0 13 26 1 0 0 0 0 27 26 1 0 0 0 0 28 10 2 0 0 0 0 29 10 2 0 0 0 0 30 11 2 0 0 0 0 31 7 2 0 0 0 0 2 32 1 1 0 0 0 33 10 1 0 0 0 0 12 34 1 1 0 0 0 35 8 1 0 0 0 0 6 36 1 1 0 0 0 37 17 1 0 0 0 0 38 32 1 0 0 0 0 39 35 1 0 0 0 0 22 40 1 6 0 0 0 5 41 1 6 0 0 0 16 42 1 6 0 0 0 18 43 1 6 0 0 0 13 44 1 6 0 0 0 9 45 1 1 0 0 0 4 3 1 1 0 0 0 20 7 1 0 0 0 0 5 9 1 0 0 0 0 6 24 1 0 0 0 0 16 27 1 0 0 0 0 8 11 1 0 0 0 0 M END > CHEBI:69126 > withalongolide G > A withanolide that is 2,3-dihydrowithaferin A substituted by a hydroxy group at position 19 and a sulfoxy group at position 3. Isolated from Physalis longifolia, it exhibits antineoplastic activity. > 3 > 2,3-dihydro-19-hydroxy-3beta-O-sulfatewithaferin A > (3beta,4beta,5beta,6beta,22R)-4,19,27-trihydroxy-1,26-dioxo-5,6:22,26-diepoxyergost-24-en-3-yl hydrogen sulfate > C28H40O11S > 584.67600 > 584.22913 > 0 > C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H]4O[C@]44[C@@H](O)[C@H](CC(=O)[C@]4(CO)[C@H]3CC[C@]12C)OS(O)(=O)=O)[C@H]1CC(C)=C(CO)C(=O)O1 > InChI=1S/C28H40O11S/c1-13-8-20(37-25(33)16(13)11-29)14(2)17-4-5-18-15-9-23-28(38-23)24(32)21(39-40(34,35)36)10-22(31)27(28,12-30)19(15)6-7-26(17,18)3/h14-15,17-21,23-24,29-30,32H,4-12H2,1-3H3,(H,34,35,36)/t14-,15-,17+,18-,19-,20+,21-,23+,24-,26+,27-,28-/m0/s1 > COBSTJNYJHEYIM-WQWZRYHASA-N > 22217716 > 22098611 $$$$