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

Systemtic Name: [(8S,9R,10S,13S,14S,16R,17R)-17-(2-butoxycarbonyloxyethanoyl)-9-chloranyl-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentyl carbonate Openeye Name: [(8S,9R,10S,13S,14S,16R,17R)-17-(2-butoxycarbonyloxyacetyl)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentyl carbonate CAS Name: carbonic acid [(8S,9R,10S,13S,14S,16R,17R)-17-[2-[butoxy(oxo)methoxy]-1-oxoethyl]-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentyl ester IUPAC Name: [(8S,9R,10S,13S,14S,16R,17R)-17-(2-butoxycarbonyloxyacetyl)-9-chloro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] pentyl carbonate Traditional Name: carbonic 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] butyl ester Formula: C33H47ClO9 MolecularWeight: 623.17388

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)OCCCC

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)OCCCC

InChI

InChI=1S/C33H47ClO9/c1-6-8-10-16-41-29(39)43-33(27(37)20-42-28(38)40-15-9-7-2)21(3)17-25-24-12-11-22-18-23(35)13-14-30(22,4)32(24,34)26(36)19-31(25,33)5/h13-14,18,21,24-26,36H,6-12,15-17,19-20H2,1-5H3/t21-,24+,25+,26?,30+,31+,32+,33+/m1/s1