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Ergosta-5,7,9(11),24(28)-tetraen-3-ol, (3.beta.)-

View entire compound with spectra: 1 MS (GC)

Ergosta-5,7,9(11),24(28)-tetraen-3-ol, (3.beta.)-
SpectraBase Compound ID B9CAZUSDhkU
InChI InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,14,18,20,22,24-25,29H,3,7-8,11-13,15-17H2,1-2,4-6H3/t20-,22+,24-,25+,27+,28-/m1/s1
InChIKey BTLPIYPELDQANI-PYCOXMNKSA-N
Mol Weight 394.6 g/mol
Molecular Formula C28H42O
Exact Mass 394.323566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3sDWplEqVig
Name Ergosta-5,7,9(11),24(28)-tetraen-3-ol, (3.beta.)-
Alternate Name(s) (3beta)-ergosta-5,7,9(11),24(28)-tetraen-3-ol 24-Methylenecholesta-5,7,9(11)-trien-3.beta.-ol
CAS Registry Number 85733-71-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H42O
InChI InChI=1S/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,14,18,20,22,24-25,29H,3,7-8,11-13,15-17H2,1-2,4-6H3/t20-,22+,24-,25+,27+,28-/m1/s1
InChIKey BTLPIYPELDQANI-PYCOXMNKSA-N
Molecular Weight 394.643 g/mol
SMILES O[C@]1(CC[C@@]2(C=3C([C@@]4(CC[C@@]([C@]4(CC3)C)([C@@](CCC(=C)C(C)C)(C)[H])[H])[H])=CC=C2C1)C)[H]
SPLASH splash10-004j-0279000000-413c5971a30b5d2457a9
Source of Spectrum KC-1983-152-0
Wiley ID 1366902