10,13-dimethyl-17-[(E)-6-methyloct-3-en-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,3-triol

Systemtic Name: 10,13-dimethyl-17-[(E)-6-methyloct-3-en-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,3-triol Openeye Name: 17-[(E)-1,5-dimethylhept-2-enyl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,3-triol CAS Name: 10,13-dimethyl-17-[(E)-6-methyloct-3-en-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,3-triol IUPAC Name: 10,13-dimethyl-17-[(E)-6-methyloct-3-en-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,3-triol Traditional Name: 17-[(E)-1,5-dimethylhept-2-enyl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-2,3,3-triol Formula: C28H46O3 MolecularWeight: 430.66304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CC(C(C4)(O)O)O)C)C

Isomeric SMILES

CCC(C)C/C=C/C(C)C1CCC2C1(CCC3C2CC=C4C3(CC(C(C4)(O)O)O)C)C

InChI

InChI=1S/C28H46O3/c1-6-18(2)8-7-9-19(3)22-12-13-23-21-11-10-20-16-28(30,31)25(29)17-27(20,5)24(21)14-15-26(22,23)4/h7,9-10,18-19,21-25,29-31H,6,8,11-17H2,1-5H3/b9-7+