(8S,9S,11S,13S,14S,17R)-13-methyl-11-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

Systemtic Name: (8S,9S,11S,13S,14S,17R)-13-methyl-11-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol Openeye Name: (8S,9S,11S,13S,14S,17R)-13-methyl-11-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol CAS Name: (8S,9S,11S,13S,14S,17R)-13-methyl-11-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol IUPAC Name: (8S,9S,11S,13S,14S,17R)-13-methyl-11-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol Traditional Name: (8S,9S,11S,13S,14S,17R)-13-methyl-11-propyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC2(C(CC(C2O)O)C3C1C4=C(CC3)C=C(C=C4)O)C

Isomeric SMILES

CCC[C@H]1C[C@]2([C@@H](CC([C@@H]2O)O)[C@H]3[C@H]1C4=C(CC3)C=C(C=C4)O)C

InChI

InChI=1S/C21H30O3/c1-3-4-13-11-21(2)17(10-18(23)20(21)24)16-7-5-12-9-14(22)6-8-15(12)19(13)16/h6,8-9,13,16-20,22-24H,3-5,7,10-11H2,1-2H3/t13-,16-,17-,18?,19+,20-,21-/m0/s1