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Botryococcenone
SpectraBase Compound ID H9WmcdBQZdx
InChI InChI=1S/C33H56O/c1-13-33(12,21-19-31(11)30(10)17-16-29(9)25(4)5)20-18-27(7)23-32(34)22-26(6)14-15-28(8)24(2)3/h13,18,20,26-29,31H,1-2,4,10,14-17,19,21-23H2,3,5-9,11-12H3/b20-18+
InChIKey KTULAUOJYAWTGC-CZIZESTLSA-N
Mol Weight 468.8 g/mol
Molecular Formula C33H56O
Exact Mass 468.433116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSA4K5Ny3aI
Name botryococcanone (5)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H56O
InChI InChI=1S/C33H56O/c1-13-33(12,21-19-31(11)30(10)17-16-29(9)25(4)5)20-18-27(7)23-32(34)22-26(6)14-15-28(8)24(2)3/h13,18,20,26-29,31H,1-2,4,10,14-17,19,21-23H2,3,5-9,11-12H3/b20-18+
InChIKey KTULAUOJYAWTGC-CZIZESTLSA-N
Molecular Weight 468.810 g/mol
SMILES C(CCC(C(=C)C)C)(=C)C(CCC(\C=C\C(CC(=O)CC(CCC(C(=C)C)C)C)C)(C=C)C)C
SPLASH splash10-06ea-9800000000-c2fed4b108453e8ea750
Source of Spectrum B-44-313-0
Synonyms (11E)-2,3,6,10,13,16,20,21-octamethyl-17-methylene-13-vinyl-1,11,21-docosatrien-8-one
Wiley ID 1392582