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CHOLEST-2-ENO[3,2-B]NAPHTHALENE
SpectraBase Compound ID D0VdfOFD6Sz
InChI InChI=1S/C35H50/c1-23(2)9-8-10-24(3)31-15-16-32-30-14-13-29-21-27-19-25-11-6-7-12-26(25)20-28(27)22-35(29,5)33(30)17-18-34(31,32)4/h6-7,11-12,19-20,23-24,29-33H,8-10,13-18,21-22H2,1-5H3/t24-,29?,30+,31-,32+,33+,34-,35+/m1/s1
InChIKey NWXDRAUDKQTEEX-PRYQCFDWSA-N
Mol Weight 470.8 g/mol
Molecular Formula C35H50
Exact Mass 470.391252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GetYR8Ny0s6
Name CHOLEST-2-ENO[3,2-B]NAPHTHALENE
CAS Registry Number 180995-35-1
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 470.391251610 u
Formula C35H50
InChI InChI=1S/C35H50/c1-23(2)9-8-10-24(3)31-15-16-32-30-14-13-29-21-27-19-25-11-6-7-12-26(25)20-28(27)22-35(29,5)33(30)17-18-34(31,32)4/h6-7,11-12,19-20,23-24,29-33H,8-10,13-18,21-22H2,1-5H3/t24-,29?,30+,31-,32+,33+,34-,35+/m1/s1
InChIKey NWXDRAUDKQTEEX-PRYQCFDWSA-N
Molecular Weight 470.785 g/mol
Nominal Mass 470 u
Number of Peaks 309
SMILES c12c(C[C@@]3([C@]4(CC[C@@]5([C@](CC[C@]5([C@@]4(CCC3C2)[H])[H])([C@@](CCCC(C)C)(C)[H])[H])C)[H])C)cc2c(c1)cccc2
SPLASH splash10-00di-5921500000-7a593b95c5b6901f28ae
Source File Reference LMCM-96170-085S
Synonyms 1-(1,5-DIMETHYLHEXYL)-13A,15A-DIMETHYL-2,3,3A,3B,4,5,5A,6,13,13A,13B,14,15,15A-TETRADECAHYDRO-1H-INDENO[5,4-A]NAPHTHACENE (14S,15S,18R,19R,22S,23R)-14,18-dimethyl-19-[(2R)-6-methylheptan-2-yl]hexacyclo[12.11.0.0(3,12).0(5,10).0(15,23).0(18,22)]pentacosa-3(12),4,6,8,10-pentaene
Wiley ID 8_8555