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(3S,5R,9R,10R,13R,14R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hex-5-enyl]-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,5R,9R,10R,13R,14R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hex-5-enyl]-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID 6BloAXMM3q2
InChI InChI=1S/C31H52O/c1-9-22(20(2)3)11-10-21(4)24-13-14-25-23-12-15-27-29(5,6)28(32)17-19-31(27,8)26(23)16-18-30(24,25)7/h12,21-22,24-28,32H,2,9-11,13-19H2,1,3-8H3/t21-,22+,24-,25+,26+,27+,28+,30-,31-/m1/s1
InChIKey PGWMCVVZNFJSNB-CLCXGXJRSA-N
Mol Weight 440.8 g/mol
Molecular Formula C31H52O
Exact Mass 440.401816 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AgOjWlWAvss
Name (3S,5R,9R,10R,13R,14R,17R)-17-[(1R,4S)-4-ethyl-1,5-dimethyl-hex-5-enyl]-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H52O
InChI InChI=1S/C31H52O/c1-9-22(20(2)3)11-10-21(4)24-13-14-25-23-12-15-27-29(5,6)28(32)17-19-31(27,8)26(23)16-18-30(24,25)7/h12,21-22,24-28,32H,2,9-11,13-19H2,1,3-8H3/t21-,22+,24-,25+,26+,27+,28+,30-,31-/m1/s1
InChIKey PGWMCVVZNFJSNB-CLCXGXJRSA-N
Molecular Weight 440.756 g/mol
SMILES O[C@]1(CC[C@]2([C@](C1(C)C)(CC=C1[C@@]3(CC[C@]([C@@](CC[C@](CC)(C(=C)C)[H])(C)[H])([C@@]3(C)CC[C@]21[H])[H])[H])[H])C)[H]
SPLASH splash10-0a4i-9050400000-3915b8aa4252015c3ec3
Source of Spectrum E1-44-1206-1
Synonyms (3S,5R,9R,10R,13R,14R,17R)-17-[(2R,5S)-5-ethyl-6-methyl-hept-6-en-2-yl]-4,4,10,13-tetramethyl-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ol
Wiley ID 1553511