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(2S)-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]propanal

View entire compound with spectra: 1 MS (GC)

(2S)-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]propanal
SpectraBase Compound ID 8no8HzX6kZy
InChI InChI=1S/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,13-14,16-20,24H,5-12H2,1-3H3/t14-,16+,17+,18-,19+,20+,21+,22-/m1/s1
InChIKey QEEYPCYYWYQYCL-NBOCEFNVSA-N
Mol Weight 330.5 g/mol
Molecular Formula C22H34O2
Exact Mass 330.25588 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2JBZQcUcnHN
Name (2S)-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]propanal
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H34O2
InChI InChI=1S/C22H34O2/c1-14(13-23)18-6-7-19-17-5-4-15-12-16(24)8-10-21(15,2)20(17)9-11-22(18,19)3/h4,13-14,16-20,24H,5-12H2,1-3H3/t14-,16+,17+,18-,19+,20+,21+,22-/m1/s1
InChIKey QEEYPCYYWYQYCL-NBOCEFNVSA-N
Molecular Weight 330.512 g/mol
SMILES O[C@@]1(CC=2[C@](CC1)([C@@]1([C@@](CC2)([C@]2([C@](CC1)([C@](CC2)([C@@](C=O)(C)[H])[H])C)[H])[H])[H])C)[H]
SPLASH splash10-0f8a-0059000000-b5769ac54045670e7968
Source of Spectrum SI-6-75-B,1b
Synonyms (S)-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)propanal
Wiley ID 1813442