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

Systemtic Name: [2-[(8S,9R,10S,13S,14S,16R,17R)-9-chloranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-17-pentoxycarbonyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanylidene-ethyl] ethanoate Openeye Name: [2-[(8S,9R,10S,13S,14S,16R,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-pentoxycarbonyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate CAS Name: acetic acid [2-[(8S,9R,10S,13S,14S,16R,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-[oxo(pentoxy)methoxy]-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] ester IUPAC Name: [2-[(8S,9R,10S,13S,14S,16R,17R)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-pentoxycarbonyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate Traditional Name: acetic acid [2-[(8S,9R,10S,13S,14S,16R,17R)-17-amoxycarbonyloxy-9-chloro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-keto-ethyl] ester Formula: C30H41ClO8 MolecularWeight: 565.09474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)C(=O)COC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C30H41ClO8/c1-6-7-8-13-37-26(36)39-30(25(35)17-38-19(3)32)18(2)14-23-22-10-9-20-15-21(33)11-12-27(20,4)29(22,31)24(34)16-28(23,30)5/h11-12,15,18,22-24,34H,6-10,13-14,16-17H2,1-5H3/t18-,22+,23+,24?,27+,28+,29+,30+/m1/s1