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2,5-Dimethyl,ethyl cholesta-5,24-diene-3-.beta.

View entire compound with spectra: 3 MS (GC)

2,5-Dimethyl,ethyl cholesta-5,24-diene-3-.beta.
SpectraBase Compound ID 22yavzJAaDV
InChI InChI=1S/C30H50O/c1-19(2)22(5)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,19,21-22,24-28,31H,3,8-9,11-18H2,1-2,4-7H3/t21-,22?,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey HQKKQHYDWOSZCJ-CWVNNBCPSA-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 B02NxcnubyK
Name 2,5-Dimethyl,ethyl cholesta-5,24-diene-3-.beta.
CAS Registry Number 90195-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H50O
InChI InChI=1S/C30H50O/c1-19(2)22(5)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(31)14-16-29(23,6)28(25)15-17-30(26,27)7/h10,19,21-22,24-28,31H,3,8-9,11-18H2,1-2,4-7H3/t21-,22?,24+,25+,26-,27+,28+,29+,30-/m1/s1
InChIKey HQKKQHYDWOSZCJ-CWVNNBCPSA-N
Molecular Weight 426.729 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4([C@@](CCC(C(C(C)C)C)=C)(C)[H])[H])[H])C)[H])C)[H]
SPLASH splash10-03di-9867100000-0170608b70526543c865
Source of Spectrum SD-1992-0-0
Synonyms (3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(1R)-1,5,6-trimethyl-4-methylene-heptyl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-4-(1,2-dimethylpropyl)-1-methyl-pent-4-enyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,7-dimethyl-5-methyleneoctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,7-dimethyl-5-methylideneoctan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol (3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-6,7-dimethyl-5-methylidene-octan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Wiley ID 1380230