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(22E)-Ergosta-5,7,22-trien-3-yl acetate

View entire compound with spectra: 4 NMR, and 6 MS (GC)

(22E)-Ergosta-5,7,22-trien-3-yl acetate
SpectraBase Compound ID 8JU4KPJNYsf
InChI InChI=1S/C30H46O2/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/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+
InChIKey NGEVNHYPVVOXPB-CMDGGOBGSA-N
Mol Weight 438.7 g/mol
Molecular Formula C30H46O2
Exact Mass 438.349781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5bblQbQaBB
Name
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C30H46O2
InChI InChI=1S/C30H46O2/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/h8-11,19-21,24,26-28H,12-18H2,1-7H3/b9-8+
InChIKey NGEVNHYPVVOXPB-CMDGGOBGSA-N
Molecular Weight 438.3486
SMILES C(OC1CC2=CC=C3C4CCC(C(C)\C=C\C(C(C)C)C)C4(C)CCC3C2(C)CC1)(=O)C
SPLASH splash10-004i-5927000000-275f156f907f8e129ef6
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