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Cholesta-1,3,5,7-tetraen-3-ol, acetate

View entire compound with spectra: 1 MS (GC)

Cholesta-1,3,5,7-tetraen-3-ol, acetate
SpectraBase Compound ID FT1bsYmOuE5
InChI InChI=1S/C29H42O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,14,16,18-20,24-27H,7-9,12-13,15,17H2,1-6H3/t20-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey GSFLNZXSNGAVED-RQZMLCOOSA-N
Mol Weight 422.7 g/mol
Molecular Formula C29H42O2
Exact Mass 422.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IfymHgeJ4al
Name Cholesta-1,3,5,7-tetraen-3-ol, acetate
Alternate Name(s) 3-Acetoxy-cholesta-1,3,5,6-tetraen Cholesta-1,3,5,6-tetraen-3-yl acetate
CAS Registry Number 64110-25-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H42O2
InChI InChI=1S/C29H42O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,14,16,18-20,24-27H,7-9,12-13,15,17H2,1-6H3/t20-,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey GSFLNZXSNGAVED-RQZMLCOOSA-N
Molecular Weight 422.653 g/mol
SMILES [C@@]12(C(=C=C[C@]3([C@@]4(CC[C@@]([C@]4(CC[C@]13[H])C)([C@@](CCCC(C)C)(C)[H])[H])[H])[H])C=C(C=C2)OC(=O)C)C
SPLASH splash10-0759-0904100000-992e4b30441ca324304f
Source of Spectrum F-46-5312-5
Wiley ID 1378823