(3S,4R,5S,6S,10S,13R,17R)-17-[(E,2R,5R)-5-(hydroxymethyl)-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,4,6-triol

Systemtic Name: (3S,4R,5S,6S,10S,13R,17R)-17-[(E,2R,5R)-5-(hydroxymethyl)-6-methyl-hept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,4,6-triol Openeye Name: (3S,4R,5S,6S,10S,13R,17R)-17-[(E,1R,4R)-4-(hydroxymethyl)-1,5-dimethyl-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,4,6-triol CAS Name: (3S,4R,5S,6S,10S,13R,17R)-17-[(E,2R,5R)-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,4,6-triol IUPAC Name: (3S,4R,5S,6S,10S,13R,17R)-17-[(E,2R,5R)-5-(hydroxymethyl)-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,4,6-triol Traditional Name: (3S,4R,5S,6S,10S,13R,17R)-17-[(E,1R,4R)-1,5-dimethyl-4-methylol-hex-2-enyl]-10,13-dimethyl-2,3,4,5,6,7,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,4,6-triol Formula: C28H44O4 MolecularWeight: 444.64656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)C=CC(C)C1CC=C2C1(CCC3=C2CC(C4C3(CCC(C4O)O)C)O)C

Isomeric SMILES

C[C@H](/C=C/[C@H](CO)C(C)C)[C@H]1CC=C2[C@@]1(CCC3=C2C[C@@H]([C@@H]4[C@@]3(CC[C@@H]([C@@H]4O)O)C)O)C

InChI

InChI=1S/C28H44O4/c1-16(2)18(15-29)7-6-17(3)20-8-9-21-19-14-24(31)25-26(32)23(30)11-13-28(25,5)22(19)10-12-27(20,21)4/h6-7,9,16-18,20,23-26,29-32H,8,10-15H2,1-5H3/b7-6+/t17-,18-,20-,23+,24+,25+,26+,27-,28-/m1/s1