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Cholesta-5,7-dien-3-ol, dimethyl phosphate, (3.beta.)-
SpectraBase Compound ID KfFvfuxCS4I
InChI InChI=1S/C29H49O4P/c1-20(2)9-8-10-21(3)25-13-14-26-24-12-11-22-19-23(33-34(30,31-6)32-7)15-17-28(22,4)27(24)16-18-29(25,26)5/h11-12,20-21,23,25-27H,8-10,13-19H2,1-7H3/t21-,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey CJAGIQIVXLFHRV-JGVHCFLESA-N
Mol Weight 492.7 g/mol
Molecular Formula C29H49O4P
Exact Mass 492.336847 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9G8mzw155in
Name Cholesta-5,7-dien-3-ol, dimethyl phosphate, (3.beta.)-
Alternate Name(s) (3beta)-cholesta-5,7-dien-3-yl dimethyl phosphate 7-Dehydrocholesteryl dimethylphosphate
CAS Registry Number 84284-85-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H49O4P
InChI InChI=1S/C29H49O4P/c1-20(2)9-8-10-21(3)25-13-14-26-24-12-11-22-19-23(33-34(30,31-6)32-7)15-17-28(22,4)27(24)16-18-29(25,26)5/h11-12,20-21,23,25-27H,8-10,13-19H2,1-7H3/t21-,23+,25-,26+,27+,28+,29-/m1/s1
InChIKey CJAGIQIVXLFHRV-JGVHCFLESA-N
Molecular Weight 492.681 g/mol
SMILES C=12[C@]3([C@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(C)CC[C@@]2([C@]2(CC[C@](OP(=O)(OC)OC)(CC2=CC1)[H])C)[H])[H]
SPLASH splash10-052g-7922000000-46318c27f0bac7be6878
Source of Spectrum KO-10-75-1
Wiley ID 1397618