13-methyl-3-nonyl-6-sulfonyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-ol

Systemtic Name: 13-methyl-3-nonyl-6-sulfonyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-ol Openeye Name: 13-methyl-3-nonyl-6-sulfonyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-ol CAS Name: 13-methyl-3-nonyl-6-sulfonyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-ol IUPAC Name: 13-methyl-3-nonyl-6-sulfonyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-ol Traditional Name: 13-methyl-3-nonyl-6-sulfonyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-17-ol Formula: C27H40O3S MolecularWeight: 444.6697

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC2=C(C=C1)C3CCC4(C(C3CC2=S(=O)=O)CCC4O)C

Isomeric SMILES

CCCCCCCCCC1=CC2=C(C=C1)C3CCC4(C(C3CC2=S(=O)=O)CCC4O)C

InChI

InChI=1S/C27H40O3S/c1-3-4-5-6-7-8-9-10-19-11-12-20-21-15-16-27(2)24(13-14-26(27)28)22(21)18-25(31(29)30)23(20)17-19/h11-12,17,21-22,24,26,28H,3-10,13-16,18H2,1-2H3