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Ergosta-5,20(22)-dien-3-ol, (3.beta.,20E)-

View entire compound with spectra: 1 MS (GC)

Ergosta-5,20(22)-dien-3-ol, (3.beta.,20E)-
SpectraBase Compound ID 5jVR3lKoQll
InChI InChI=1S/C28H46O/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/h8-9,18-19,22-26,29H,7,10-17H2,1-6H3/b20-8+/t19-,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey SLDRSUQWGZVZGU-KDYFNVBJSA-N
Mol Weight 398.7 g/mol
Molecular Formula C28H46O
Exact Mass 398.354866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GX8lFNb1AJn
Name Ergosta-5,20(22)-dien-3-ol, (3.beta.,20E)-
Alternate Name(s) (24S)-Ergosta-5,20(22)(E)-dien-3.beta.-ol (3beta,20E)-ergosta-5,20(22)-dien-3-ol
CAS Registry Number 118335-29-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O
InChI InChI=1S/C28H46O/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/h8-9,18-19,22-26,29H,7,10-17H2,1-6H3/b20-8+/t19-,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey SLDRSUQWGZVZGU-KDYFNVBJSA-N
Molecular Weight 398.675 g/mol
SMILES O[C@]1(CC[C@@]2([C@]3(CC[C@]4([C@]([C@@]3(CC=C2C1)[H])(CC[C@@]4(\C(=C\C[C@@](C(C)C)(C)[H])C)[H])[H])C)[H])C)[H]
SPLASH splash10-052e-9278000000-61584969f7ffe87179d0
Source of Spectrum J-54-372-8
Wiley ID 1368793