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2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate

2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate

Systemtic Name:2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate
Openeye Name:2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl ester
IUPAC Name:2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid 2-[(3-methoxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)oxy]ethyl ester
Formula: C29H42O5S
MolecularWeight: 502.70578
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CCC3C2(CCC4C3CC=C5C4(CCC(C5)OC)C)C


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2CCC3C2(CCC4C3CC=C5C4(CCC(C5)OC)C)C


InChI

InChI=1S/C29H42O5S/c1-20-5-8-23(9-6-20)35(30,31)34-18-17-33-27-12-11-25-24-10-7-21-19-22(32-4)13-15-28(21,2)26(24)14-16-29(25,27)3/h5-9,22,24-27H,10-19H2,1-4H3


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