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3-(METHOXYMETHOXY)ERGOSTA-5,7,22-TRIEN-26-OL
SpectraBase Compound ID FLnQEd0vi94
InChI InChI=1S/C30H48O3/c1-20(22(3)18-31)7-8-21(2)26-11-12-27-25-10-9-23-17-24(33-19-32-6)13-15-29(23,4)28(25)14-16-30(26,27)5/h7-10,20-22,24,26-28,31H,11-19H2,1-6H3/b8-7+/t20-,21+,22?,24?,26+,27-,28-,29-,30+/m0/s1
InChIKey BITAWTQYUZUSGH-WICXHUOSSA-N
Mol Weight 456.7 g/mol
Molecular Formula C30H48O3
Exact Mass 456.360345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DAS7Z4PLWk
Name 3-(METHOXYMETHOXY)ERGOSTA-5,7,22-TRIEN-26-OL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 456.360345403 u
Formula C30H48O3
InChI InChI=1S/C30H48O3/c1-20(22(3)18-31)7-8-21(2)26-11-12-27-25-10-9-23-17-24(33-19-32-6)13-15-29(23,4)28(25)14-16-30(26,27)5/h7-10,20-22,24,26-28,31H,11-19H2,1-6H3/b8-7+/t20-,21+,22?,24?,26+,27-,28-,29-,30+/m0/s1
InChIKey BITAWTQYUZUSGH-WICXHUOSSA-N
Molecular Weight 456.711 g/mol
Nominal Mass 456 u
Number of Peaks 233
SMILES OCC([C@](\C=C\[C@]([C@]1(CC[C@]2(C3=CC=C4CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)OCOC)[H])[H])(C)[H])(C)[H])C
SPLASH splash10-0007-9624000000-f285328d6b33107c510a
Source File Reference LMCM-40104-464Q
Source of Spectrum Prof. J. Seibl; ETH Zurich, Switzerland
Synonyms (3S,4E,6R)-6-[(1S,2R,11R,14R,15R)-5-(methoxymethoxy)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadeca-7,9-dien-14-yl]-2,3-dimethylhept-4-en-1-ol
Wiley ID 8_16656