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4-Methyl-5-(6-methylheptan-2-yl)-13-(4-iodo-3-butene)tricyclo[7.6.0.0(4,8)]pentadec-11-en-9-ol
SpectraBase Compound ID 6b5RsNQdurl
InChI InChI=1S/C28H47IO/c1-21(2)9-7-10-22(3)25-15-16-26-27(25,4)19-17-24-14-13-23(11-5-6-20-29)12-8-18-28(24,26)30/h6,8,12,20-26,30H,5,7,9-11,13-19H2,1-4H3/b12-8-,20-6+
InChIKey YNBUBMDOVDYNTF-DFAGHDLASA-N
Mol Weight 526.6 g/mol
Molecular Formula C28H47IO
Exact Mass 526.267161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AYBI8EqnDPY
Name 4-Methyl-5-(6-methylheptan-2-yl)-13-(4-iodo-3-butene)tricyclo[7.6.0.0(4,8)]pentadec-11-en-9-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H47IO
InChI InChI=1S/C28H47IO/c1-21(2)9-7-10-22(3)25-15-16-26-27(25,4)19-17-24-14-13-23(11-5-6-20-29)12-8-18-28(24,26)30/h6,8,12,20-26,30H,5,7,9-11,13-19H2,1-4H3/b12-8-,20-6+
InChIKey YNBUBMDOVDYNTF-DFAGHDLASA-N
Molecular Weight 526.587 g/mol
SMILES OC12C3C(C(CC3)C(CCCC(C)C)C)(CCC2CCC(CC\C=C\I)\C=C/C1)C
SPLASH splash10-053r-0005090000-7c061b6ff0559b573a34
Source of Spectrum F-70-8290-34
Synonyms 3-(1,5-dimethylhexyl)-8-[(3E)-4-iodo-3-butenyl]-3a-methyl-1,2,3,3a,4,5,5a,6,7,8,11,11b-dodecahydro-11aH-cycloocta[e]inden-11a-ol 4-Methyl-5-(6-methylheptan-2-yl)-13-(4-iodobutyl)tricyclo[7.6.0.0(4,8)]pentadec-11-en-9-ol
Wiley ID 1597554