4-[(3R,10S,13R,14S,17S)-3-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]-methoxy-amino]-14-hydroxy-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:
C36H57NO14
InChI: InChI=1/C36H57NO14/c1-34-9-6-19(13-18(34)4-5-22-21(34)7-10-35(2)20(8-11-36(22,35)46)17-12-25(40)48-16-17)37(47-3)32-29(44)28(43)31(24(15-39)49-32)51-33-30(45)27(42)26(41)23(14-38)50-33/h12,18-24,26-33,38-39,41-46H,4-11,13-16H2,1-3H3/t18u,19-,20-,21u,22u,23-,24-,26-,27+,28-,29-,30-,31-,32-,33-,34+,35-,36+/m1/s1
InChIKey: InChIKey=WXCAXOYGRZZHHE-BVYRPYCGBD
SMILES: CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)N(C6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)O)OC
Names:
4-[(3R,10S,13R,14S,17S)-3-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]-methoxy-amino]-14-hydroxy-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 11520514
PubChem ID 16622356
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