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

Systemtic Name: [(8S,9R,10S,13S,14S,16R,17R)-9-chloranyl-17-(2-ethoxycarbonyloxyethanoyl)-10,13,16-trimethyl-11-oxidanyl-3-oxidanylidene-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl carbonate Openeye Name: [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl carbonate CAS Name: carbonic acid [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-17-(2-ethoxycarbonyloxy-1-oxoethyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl ester IUPAC Name: [(8S,9R,10S,13S,14S,16R,17R)-9-chloro-17-(2-ethoxycarbonyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl carbonate Traditional Name: carbonic acid [(8S,9R,10S,13S,14S,16R,17R)-17-(2-carbethoxyoxyacetyl)-9-chloro-11-hydroxy-3-keto-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propyl ester Formula: C29H39ClO9 MolecularWeight: 567.06756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=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)OCC

InChI

InChI=1S/C29H39ClO9/c1-6-12-37-25(35)39-29(23(33)16-38-24(34)36-7-2)17(3)13-21-20-9-8-18-14-19(31)10-11-26(18,4)28(20,30)22(32)15-27(21,29)5/h10-11,14,17,20-22,32H,6-9,12-13,15-16H2,1-5H3/t17-,20+,21+,22?,26+,27+,28+,29+/m1/s1