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Ergosta-7,22-diene-3,6-diol, (3.beta.,5.beta.,6.beta.,22E)-
SpectraBase Compound ID LqMxsrIGnAF
InChI InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-20,22-26,29-30H,9-15H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25-,26+,27+,28+/m0/s1
InChIKey HGGDUZQCHPXQPL-WQBKXUAISA-N
Mol Weight 414.7 g/mol
Molecular Formula C28H46O2
Exact Mass 414.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KW6Xb1Yc3PT
Name Ergosta-7,22-diene-3,6-diol, (3.beta.,5.beta.,6.beta.,22E)-
CAS Registry Number 118574-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O2
InChI InChI=1S/C28H46O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h7-8,16-20,22-26,29-30H,9-15H2,1-6H3/b8-7+/t18-,19+,20-,22+,23-,24-,25-,26+,27+,28+/m0/s1
InChIKey HGGDUZQCHPXQPL-WQBKXUAISA-N
Molecular Weight 414.674 g/mol
SMILES O[C@]1([C@@]2(C[C@](CC[C@@]2([C@@]2(C(=C1)[C@]1([C@](CC2)([C@](CC1)([C@@](\C=C\[C@@](C(C)C)(C)[H])(C)[H])[H])C)[H])[H])C)(O)[H])[H])[H]
SPLASH splash10-03ka-0047900000-73c848c56e9bc5837e8f
Source of Spectrum KC-1988-2362-6
Synonyms (22E)-5.beta.-ergosta-7,22-diene-3.beta.,6.beta.-diol (3beta,5beta,6beta,22E)-ergosta-7,22-diene-3,6-diol
Wiley ID 1375754