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Botryococcenone
SpectraBase Compound ID 3wybyJCZunS
InChI InChI=1S/C33H68/c1-13-33(12,24-22-32(11)31(10)20-19-30(9)26(4)5)23-21-28(7)16-14-15-27(6)17-18-29(8)25(2)3/h25-32H,13-24H2,1-12H3
InChIKey LYDRKNRDDHQJRH-UHFFFAOYSA-N
Mol Weight 464.9 g/mol
Molecular Formula C33H68
Exact Mass 464.532102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H4RJW90AYAv
Name Botryococcenone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H68
InChI InChI=1S/C33H68/c1-13-33(12,24-22-32(11)31(10)20-19-30(9)26(4)5)23-21-28(7)16-14-15-27(6)17-18-29(8)25(2)3/h25-32H,13-24H2,1-12H3
InChIKey LYDRKNRDDHQJRH-UHFFFAOYSA-N
Molecular Weight 464.907 g/mol
SMILES C(CCC(C(CCC(C(C)C)C)C)C)(CCC(CCCC(CCC(C(C)C)C)C)C)(CC)C
SPLASH splash10-00e1-9600000000-cb1919e3476c3d42c8c7
Source of Spectrum B-44-313-0
Synonyms 10-Ethyl-2,3,6,7,10,13,17,20,21-nonamethyldocosane C33 Botryococcane (8)
Wiley ID 1391665