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9,10-Secocholesta-5,7,14-trien-3-ol, (3.beta.,5Z,7Z,10.alpha.)-
SpectraBase Compound ID FWRx2bj5epV
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,16,19-21,24-25,28H,6-11,14-15,17-18H2,1-5H3/b22-12-,23-13+/t20-,21-,24+,25-,27-/m1/s1
InChIKey NYYRYIVWWUNIBZ-YCJDPJDCSA-N
Mol Weight 384.6 g/mol
Molecular Formula C27H44O
Exact Mass 384.339216 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4cQ1SBTobFs
Name 9,10-Secocholesta-5,7,14-trien-3-ol, (3.beta.,5Z,7Z,10.alpha.)-
Alternate Name(s) (3S,10R)-(Z,Z)-9,10-secocholesta-5,7,14-trien-3-ol (3S,10S)-(Z,Z)-9,10-secocholesta-5,7,14-trien-3-ol (3S,5E,7Z,10R)-9,10-secocholesta-5,7,14-trien-3-ol
CAS Registry Number 66901-52-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H44O
InChI InChI=1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,16,19-21,24-25,28H,6-11,14-15,17-18H2,1-5H3/b22-12-,23-13+/t20-,21-,24+,25-,27-/m1/s1
InChIKey NYYRYIVWWUNIBZ-YCJDPJDCSA-N
Molecular Weight 384.648 g/mol
SMILES O[C@@]1(C\C(=C/C=C\2C=3[C@@]([C@@]([C@@](CCCC(C)C)(C)[H])(CC3)[H])(CCC2)C)[C@@](CC1)(C)[H])[H]
SPLASH splash10-001i-0449000000-4637e1897e18af50b0d3
Source of Spectrum J-43-3443-0
Wiley ID 1361976