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Botryococcanone (7)
SpectraBase Compound ID IcTxByENwSo
InChI InChI=1S/C33H66O/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/h24-31H,13-23H2,1-12H3
InChIKey PWIFNSNUWMIJCL-UHFFFAOYSA-N
Mol Weight 478.9 g/mol
Molecular Formula C33H66O
Exact Mass 478.511367 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MmYmw7msy4
Name Botryococcanone (7)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H66O
InChI InChI=1S/C33H66O/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/h24-31H,13-23H2,1-12H3
InChIKey PWIFNSNUWMIJCL-UHFFFAOYSA-N
Molecular Weight 478.890 g/mol
SMILES C(=O)(CC(CCC(CCC(C(CCC(C(C)C)C)C)C)(CC)C)C)CC(CCC(C(C)C)C)C
SPLASH splash10-022i-9420000000-f7d545072574b4b45f28
Source of Spectrum B-44-313-0
Synonyms 13-Ethyl-2,3,6,10,13,16,17,20,21-nonamethyl-8-docosanone
Wiley ID 1394917