methyl 6-methyl-2-[(5R,14R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate

Systemtic Name: methyl 6-methyl-2-[(5R,14R)-4,4,10,13,14-pentamethyl-3-oxidanyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-5-enoate Openeye Name: methyl 2-[(5R,14R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoate CAS Name: 2-[(5R,14R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-5-heptenoic acid methyl ester IUPAC Name: methyl 2-[(5R,14R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-enoate Traditional Name: 2-[(5R,14R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methyl-hept-5-enoic acid methyl ester Formula: C31H50O3 MolecularWeight: 470.7269

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)OC)C

Isomeric SMILES

CC(=CCCC(C1CC[C@@]2(C1(CCC3=C2CC[C@@H]4C3(CCC(C4(C)C)O)C)C)C)C(=O)OC)C

InChI

InChI=1S/C31H50O3/c1-20(2)10-9-11-21(27(33)34-8)22-14-18-31(7)24-12-13-25-28(3,4)26(32)16-17-29(25,5)23(24)15-19-30(22,31)6/h10,21-22,25-26,32H,9,11-19H2,1-8H3/t21?,22?,25-,26?,29?,30?,31-/m0/s1