3-[(3S,10S,13R,14S,17R)-3-[[(3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-methoxy-amino]-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Systemtic Name: 3-[(3S,10S,13R,14S,17R)-3-[[(3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-methoxy-amino]-10,13-dimethyl-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Openeye Name: 3-[(3S,10S,13R,14S,17R)-3-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-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]-2H-furan-5-one CAS Name: 3-[(3S,10S,13R,14S,17R)-3-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-methoxyamino]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one IUPAC Name: 3-[(3S,10S,13R,14S,17R)-3-[[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-methoxyamino]-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one Traditional Name: 3-[(3S,10S,13R,14S,17R)-3-[[(3R,4S,5R)-3,4-dihydroxy-5-methylol-tetrahydrofuran-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]-2H-furan-5-one Formula: C29H45NO8 MolecularWeight: 535.6695

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)N(C6C(C(C(O6)CO)O)O)OC

Isomeric SMILES

C[C@]12CCC3C([C@]1(CC[C@@H]2C4=CC(=O)OC4)O)CCC5[C@@]3(CC[C@@H](C5)N(C6[C@@H]([C@@H]([C@H](O6)CO)O)O)OC)C

InChI

InChI=1S/C29H45NO8/c1-27-9-6-18(30(36-3)26-25(34)24(33)22(14-31)38-26)13-17(27)4-5-21-20(27)7-10-28(2)19(8-11-29(21,28)35)16-12-23(32)37-15-16/h12,17-22,24-26,31,33-35H,4-11,13-15H2,1-3H3/t17?,18-,19+,20?,21?,22+,24+,25+,26?,27-,28+,29-/m0/s1