[(8S,9R,10S,13S,14S,16R,17R)-9-chloranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-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)-9-chloranyl-10,13,16-trimethyl-11-oxidanyl-17-(2-oxidanylethanoyl)-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)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-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)-9-chloro-11-hydroxy-17-(2-hydroxy-1-oxoethyl)-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)-9-chloro-11-hydroxy-17-(2-hydroxyacetyl)-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 amyl [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-17-glycoloyl-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C28H39ClO7 MolecularWeight: 523.05806

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Descriptors Computed from Structure

Canonical SMILES:

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

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)CO

InChI

InChI=1S/C28H39ClO7/c1-5-6-7-12-35-24(34)36-28(23(33)16-30)17(2)13-21-20-9-8-18-14-19(31)10-11-25(18,3)27(20,29)22(32)15-26(21,28)4/h10-11,14,17,20-22,30,32H,5-9,12-13,15-16H2,1-4H3/t17-,20+,21+,22?,25+,26+,27+,28+/m1/s1