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Acalyphaser A

View entire compound with spectra: 1 MS (GC)

Acalyphaser A
SpectraBase Compound ID FK99IGtdG7z
InChI InChI=1S/C40H66O/c1-12-39(10)29-27-37(38(39)30-36(9)25-16-24-34(7)21-14-19-32(4)5)40(11,41)28-17-26-35(8)23-15-22-33(6)20-13-18-31(2)3/h12,18-19,22,24,26,30,37-38,41H,1,13-17,20-21,23,25,27-29H2,2-11H3/b33-22+,34-24-,35-26+,36-30+/t37-,38+,39-,40?/m0/s1
InChIKey KJXQWFCDKUIHEO-VBOWJYMUSA-N
Mol Weight 563.0 g/mol
Molecular Formula C40H66O
Exact Mass 562.511367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6NFdDhQNx9V
Name Acalyphaser A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H66O
InChI InChI=1S/C40H66O/c1-12-39(10)29-27-37(38(39)30-36(9)25-16-24-34(7)21-14-19-32(4)5)40(11,41)28-17-26-35(8)23-15-22-33(6)20-13-18-31(2)3/h12,18-19,22,24,26,30,37-38,41H,1,13-17,20-21,23,25,27-29H2,2-11H3/b33-22+,34-24-,35-26+,36-30+/t37-,38+,39-,40?/m0/s1
InChIKey KJXQWFCDKUIHEO-VBOWJYMUSA-N
Literature Reference DOI 10.1002/cbdv.200690133
Molecular Weight 562.967 g/mol
SMILES OC([C@@]1([C@]([C@@](CC1)(C)C=C)(\C=C\(CC\C=C/(CCC=C(C)C)C)C)[H])[H])(CC\C=C\(CC\C=C\(CCC=C(C)C)C)C)C
SPLASH splash10-014i-9510030000-340403791dc7cca2eba5
Source of Spectrum CBD-3-1306-1
Synonyms (S,5E,9E)-6,10,14-trimethyl-2-((1S,2R,3R)-3-methyl-2-((1E,5Z)-2,6,10-trimethylundeca-1,5,9-trienyl)-3-vinylcyclopentyl)pentadeca-5,9,13-trien-2-ol (5E,9E)-6,10,14-trimethyl-2-((1S,2R,3R)-3-methyl-2-((1E,5Z)-2,6,10-trimethylundeca-1,5,9-trien-1-yl)-3-vinylcyclopentyl)pentadeca-5,9,13-trien-2-ol
Wiley ID 1790254