[2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-pentoxycarbonyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] methyl carbonate

Systemtic Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-10,13-dimethyl-11-oxidanyl-3-oxidanylidene-17-pentoxycarbonyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] methyl carbonate Openeye Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-pentoxycarbonyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] methyl carbonate CAS Name: carbonic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-[oxo(pentoxy)methoxy]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methyl ester IUPAC Name: [2-[(8S,9S,10R,11S,13S,14S,17R)-11-hydroxy-10,13-dimethyl-3-oxo-17-pentoxycarbonyloxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] methyl carbonate Traditional Name: carbonic acid [2-[(8S,9S,10R,11S,13S,14S,17R)-17-amoxycarbonyloxy-11-hydroxy-3-keto-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] methyl ester Formula: C29H42O9 MolecularWeight: 534.63838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)COC(=O)OC

Isomeric SMILES

CCCCCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)COC(=O)OC

InChI

InChI=1S/C29H42O9/c1-5-6-7-14-36-26(34)38-29(23(32)17-37-25(33)35-4)13-11-21-20-9-8-18-15-19(30)10-12-27(18,2)24(20)22(31)16-28(21,29)3/h15,20-22,24,31H,5-14,16-17H2,1-4H3/t20-,21-,22-,24+,27-,28-,29-/m0/s1