[2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethyl carbonate

Systemtic Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloranyl-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethyl carbonate Openeye Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] ethyl carbonate CAS Name: carbonic acid [2-[(8S,9R,10S,13S,14S,17R)-17-[butoxy(oxo)methoxy]-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ethyl ester IUPAC Name: [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ethyl carbonate Traditional Name: carbonic acid [2-[(8S,9R,10S,13S,14S,17R)-17-butoxycarbonyloxy-9-chloro-11-hydroxy-3-keto-10,13-dimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ethyl ester Formula: C29H39ClO9 MolecularWeight: 567.06756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)OC1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C(=O)COC(=O)OCC

Isomeric SMILES

CCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(CC([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)Cl)O)C)C(=O)COC(=O)OCC

InChI

InChI=1S/C29H39ClO9/c1-5-7-14-37-25(35)39-28(23(33)17-38-24(34)36-6-2)13-11-20-21-9-8-18-15-19(31)10-12-26(18,3)29(21,30)22(32)16-27(20,28)4/h10,12,15,20-22,32H,5-9,11,13-14,16-17H2,1-4H3/t20-,21-,22?,26-,27-,28-,29-/m0/s1