[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-yl] methyl carbonate; [(E)-octadec-9-enyl] [8,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 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-yl] methyl carbonate; [(E)-octadec-9-enyl] [8,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] 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-yl] methyl carbonate; [17-(1,5-dimethylhexyl)-8,10,13-trimethyl-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] [(E)-octadec-9-enyl] carbonate CAS Name: carbonic acid [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-yl] methyl ester; carbonic acid [(E)-octadec-9-enyl] [8,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] ester 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-yl] methyl carbonate; [(E)-octadec-9-enyl] [8,10,13-trimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] carbonate Traditional Name: carbonic acid [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-yl] methyl ester; carbonic acid [17-(1,5-dimethylhexyl)-8,10,13-trimethyl-1,2,3,4,7,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-yl] [(E)-octadec-9-enyl] ester Formula: C76H130O6 MolecularWeight: 1139.8418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOC(=O)OC1CCC2(C3CCC4(C(CCC4C3(CC=C2C1)C)C(C)CCCC(C)C)C)C.CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OC)C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCOC(=O)OC1CCC2(C3CCC4(C(CCC4C3(CC=C2C1)C)C(C)CCCC(C)C)C)C.CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OC)C)C

InChI

InChI=1S/C47H82O3.C29H48O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-35-49-44(48)50-40-30-33-45(5)39(36-40)29-32-47(7)42-28-27-41(38(4)26-24-25-37(2)3)46(42,6)34-31-43(45)47;1-19(2)8-7-9-20(3)24-12-13-25-23-11-10-21-18-22(32-27(30)31-6)14-16-28(21,4)26(23)15-17-29(24,25)5/h15-16,29,37-38,40-43H,8-14,17-28,30-36H2,1-7H3;10,19-20,22-26H,7-9,11-18H2,1-6H3/b16-15+;