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(3S,8S,9R,10S,13S,14R,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol

View entire compound with spectra: 1 MS (GC)

(3S,8S,9R,10S,13S,14R,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
SpectraBase Compound ID EPnAO6ZkaNA
InChI InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22?,24-,25+,26+,28+,29+,30-/m1/s1
InChIKey WSPRAEIJBDUDRX-UYSWQTJCSA-N
Mol Weight 426.7 g/mol
Molecular Formula C30H50O
Exact Mass 426.386166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7bg9kbhJUIk
Name (3S,8S,9R,10S,13S,14R,17S)-17-[(1R)-1,5-dimethylhex-4-enyl]-4,4,9,13,14-pentamethyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-16-17-30(8)25-14-12-23-24(13-15-26(31)27(23,4)5)28(25,6)18-19-29(22,30)7/h10,12,21-22,24-26,31H,9,11,13-19H2,1-8H3/t21-,22?,24-,25+,26+,28+,29+,30-/m1/s1
InChIKey WSPRAEIJBDUDRX-UYSWQTJCSA-N
Molecular Weight 426.729 g/mol
SMILES O[C@@]1(C(C2=CC[C@]3([C@]([C@@]2(CC1)[H])(CC[C@@]1([C@@]3(CCC1[C@@](CCC=C(C)C)(C)[H])C)C)C)[H])(C)C)[H]
SPLASH splash10-08n9-0793400000-f762c6d30f74b063c4da
Source of Spectrum G4-65-161-3
Synonyms (3S,8S,9R,10S,13S,14R,17S)-4,4,9,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1609395