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(22Z,24R)-brassicasteryl-acetate
SpectraBase Compound ID B0SxsAqm2zQ
InChI InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-10,19-21,24-28H,11-18H2,1-7H3/b9-8-/t20-,21+,24-,25?,26?,27?,28?,29-,30+/m0/s1
InChIKey YAXRKAKOIWXVHL-HNESRQNOSA-N
Mol Weight 440.7 g/mol
Molecular Formula C30H48O2
Exact Mass 440.365431 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1RuiraWRZv3
Name (22Z,24R)-brassicasteryl-acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H48O2
InChI InChI=1S/C30H48O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-10,19-21,24-28H,11-18H2,1-7H3/b9-8-/t20-,21+,24-,25?,26?,27?,28?,29-,30+/m0/s1
InChIKey YAXRKAKOIWXVHL-HNESRQNOSA-N
Molecular Weight 440.712 g/mol
SMILES [C@@]12(C(C3CC=C4[C@@](C3CC2)(CC[C@](OC(=O)C)(C4)[H])C)CCC1[C@@](\C=C/[C@@](C(C)C)(C)[H])(C)[H])C
SPLASH splash10-001i-9834000000-7da805029e64fe5abe64
Source of Spectrum SD-1992-0-0
Synonyms (3beta,22Z)-ergosta-5,22-dien-3-yl acetate
Wiley ID 1384924