10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; [(E)-docos-13-enyl] carbonate

Systemtic Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; [(E)-docos-13-enyl] carbonate Openeye Name: 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; [(E)-docos-13-enyl] carbonate CAS Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; [(E)-docos-13-enyl] carbonate IUPAC Name: 10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; [(E)-docos-13-enyl] carbonate Traditional Name: 17-(1,5-dimethylhexyl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol; [(E)-docos-13-enyl] carbonate Formula: C50H89O4- MolecularWeight: 754.23926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCCOC(=O)[O-].CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCCOC(=O)[O-].CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C

InChI

InChI=1S/C27H46O.C23H44O3/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-23(24)25/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3;9-10H,2-8,11-22H2,1H3,(H,24,25)/p-1/b;10-9+