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(2R)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propane-1,2-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2R)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propane-1,2-diol
SpectraBase Compound ID CwbeQLNlHw1
InChI InChI=1S/C22H36O3/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3,25)13-23)21(17,2)11-9-18(16)20/h4,15-19,23-25H,5-13H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-/m0/s1
InChIKey UVAKZQFWLJMOJC-IIPZINQHSA-N
Mol Weight 348.5 g/mol
Molecular Formula C22H36O3
Exact Mass 348.266445 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CVk6VrJWs8d
Name (2R)-2-[(3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]propane-1,2-diol
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H36O3
InChI InChI=1S/C22H36O3/c1-20-10-8-15(24)12-14(20)4-5-16-17-6-7-19(22(3,25)13-23)21(17,2)11-9-18(16)20/h4,15-19,23-25H,5-13H2,1-3H3/t15-,16-,17-,18-,19+,20-,21-,22-/m0/s1
InChIKey UVAKZQFWLJMOJC-IIPZINQHSA-N
Molecular Weight 348.527 g/mol
SMILES O[C@]1(CC[C@]2(C(=CC[C@@]3([C@@]2(CC[C@]2([C@]3(CC[C@]2([C@](C)(CO)O)[H])[H])C)[H])[H])C1)C)[H]
SPLASH splash10-01ba-0089000000-91ea23edad646a2e4eb1
Source of Spectrum SI-6-75-F,18
Synonyms 2-((3S,8S,9S,10R,13S,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)propane-1,2-diol
Wiley ID 1813447