4-[(3S,5R,8R,9R,10S,11R,13R,14S,17S)-11,14-dihydroxy-3-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
Molecular Formula:
C30H46O8
InChI: InChI=1/C30H46O8/c1-16-27(33)23(35-4)13-25(37-16)38-19-7-9-28(2)18(12-19)5-6-21-26(28)22(31)14-29(3)20(8-10-30(21,29)34)17-11-24(32)36-15-17/h11,16,18-23,25-27,31,33-34H,5-10,12-15H2,1-4H3/t16-,18+,19-,20+,21+,22+,23-,25-,26+,27-,28-,29+,30-/m0/s1
InChIKey: InChIKey=LEORFFVSVUWAEY-WJOPOJKJBO
SMILES: CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)OC)O
Names:
4-[(3S,5R,8R,9R,10S,11R,13R,14S,17S)-11,14-dihydroxy-3-[(2R,4S,5R,6S)-5-hydroxy-4-methoxy-6-methyl-oxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-5H-furan-2-one
Registries:
PubChem CID 120704
PubChem ID 10239202
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