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(22Z)-24,24-dimethyl-5.alpha.-cholesta-7,22-dien-3.beta.-ol acetate
SpectraBase Compound ID 44TMiFjQiJd
InChI InChI=1S/C31H50O2/c1-20(2)29(5,6)16-13-21(3)26-11-12-27-25-10-9-23-19-24(33-22(4)32)14-17-30(23,7)28(25)15-18-31(26,27)8/h10,13,16,20-21,23-24,26-28H,9,11-12,14-15,17-19H2,1-8H3/b16-13-/t21-,23+,24+,26-,27+,28+,30+,31-/m1/s1
InChIKey YCCBPMSLHPYQDN-SECDTYSJSA-N
Mol Weight 454.7 g/mol
Molecular Formula C31H50O2
Exact Mass 454.381081 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61MfENKrcTK
Name (22Z)-24,24-dimethyl-5.alpha.-cholesta-7,22-dien-3.beta.-ol acetate
Alternate Name(s) (1R,2S,5S,7S,11R,14R,15R)-2,15-dimethyl-14-[(2R,3Z)-5,5,6-trimethylhept-3-en-2-yl]tetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-9-en-5-yl acetate
CAS Registry Number 118112-72-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H50O2
InChI InChI=1S/C31H50O2/c1-20(2)29(5,6)16-13-21(3)26-11-12-27-25-10-9-23-19-24(33-22(4)32)14-17-30(23,7)28(25)15-18-31(26,27)8/h10,13,16,20-21,23-24,26-28H,9,11-12,14-15,17-19H2,1-8H3/b16-13-/t21-,23+,24+,26-,27+,28+,30+,31-/m1/s1
InChIKey YCCBPMSLHPYQDN-SECDTYSJSA-N
Molecular Weight 454.739 g/mol
SMILES C=12[C@]3([C@]([C@@]([C@@](\C=C/C(C(C)C)(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](OC(=O)C)(C[C@@]2(CC1)[H])[H])C)[H])[H]
SPLASH splash10-08gi-5096600000-bc26770f61260fb0abbc
Source of Spectrum J-54-610-7
Wiley ID 1388947