(3S,9S,10R,13R,14R,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene

Systemtic Name: (3S,9S,10R,13R,14R,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene Openeye Name: (3S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-5-enyl]-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene CAS Name: (3S,9S,10R,13R,14R,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene IUPAC Name: (3S,9S,10R,13R,14R,17R)-3-(methoxymethoxy)-10,13-dimethyl-17-[(2R)-6-methylhept-6-en-2-yl]-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene Traditional Name: (3S,9S,10R,13R,14R,17R)-17-[(1R)-1,5-dimethylhex-5-enyl]-3-(methoxymethoxy)-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene Formula: C29H46O2 MolecularWeight: 426.67434

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(=C)C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)OCOC)C)C

Isomeric SMILES

C[C@H](CCCC(=C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)OCOC)C)C

InChI

InChI=1S/C29H46O2/c1-20(2)8-7-9-21(3)25-12-13-26-24-11-10-22-18-23(31-19-30-6)14-16-28(22,4)27(24)15-17-29(25,26)5/h10-11,21,23,25-27H,1,7-9,12-19H2,2-6H3/t21-,23+,25-,26+,27+,28+,29-/m1/s1