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Cholest-2-eno[2,3-c]naphthalene, 2'-methyl-
SpectraBase Compound ID DvZvn1Hywe4
InChI InChI=1S/C36H52/c1-23(2)10-9-11-24(3)32-16-17-33-29-15-14-27-21-30-28-13-8-7-12-26(28)20-25(4)31(30)22-36(27,6)34(29)18-19-35(32,33)5/h7-8,12-13,20,23-24,27,29,32-34H,9-11,14-19,21-22H2,1-6H3/t24-,27?,29+,32-,33+,34+,35-,36+/m1/s1
InChIKey VWOTVRURKJRHHT-AISDUUDDSA-N
Mol Weight 484.8 g/mol
Molecular Formula C36H52
Exact Mass 484.406902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DHXLMXe7xFU
Name CHOLEST-2-ENO[2,3-C]NAPHTHALENE, 2'-METHYL-
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 484.406901674 u
Formula C36H52
InChI InChI=1S/C36H52/c1-23(2)10-9-11-24(3)32-16-17-33-29-15-14-27-21-30-28-13-8-7-12-26(28)20-25(4)31(30)22-36(27,6)34(29)18-19-35(32,33)5/h7-8,12-13,20,23-24,27,29,32-34H,9-11,14-19,21-22H2,1-6H3/t24-,27?,29+,32-,33+,34+,35-,36+/m1/s1
InChIKey VWOTVRURKJRHHT-AISDUUDDSA-N
Molecular Weight 484.812 g/mol
Nominal Mass 484 u
Number of Peaks 249
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)c(cc2c1cccc2)C
SPLASH splash10-001i-7841900000-35f013fbf9e41ad871e5
Source File Reference LMCM-98257-435L
Synonyms 1-(1,5-DIMETHYLHEXYL)-12,13A,15A-TRIMETHYL-2,3,3A,3B,4,5,5A,6,13,13A,13B,14,15,15A-TETRADECAHYDRO-1H-BENZO[A]INDENO[5,4-H]ANTHRACENE (14S,15S,18R,19R,22S,23R)-11,14,18-trimethyl-19-[(2R)-6-methylheptan-2-yl]hexacyclo[12.11.0.0(3,12).0(4,9).0(15,23).0(18,22)]pentacosa-3(12),4(9),5,7,10-pentaene
Wiley ID 8_8276