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Cholest-2-eno[2,3-c]naphthalene, 6'-methyl-
SpectraBase Compound ID Zl6yNHwPLw
InChI InChI=1S/C36H52/c1-23(2)8-7-9-25(4)32-16-17-33-29-15-14-28-21-31-27(13-12-26-11-10-24(3)20-30(26)31)22-36(28,6)34(29)18-19-35(32,33)5/h10-13,20,23,25,28-29,32-34H,7-9,14-19,21-22H2,1-6H3/t25-,28?,29+,32-,33+,34+,35-,36+/m1/s1
InChIKey NDYKHZKMHRKXQV-XWQSPQFRSA-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 LZBHWww6sqQ
Name CHOLEST-2-ENO[2,3-C]NAPHTHALENE, 6'-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)8-7-9-25(4)32-16-17-33-29-15-14-28-21-31-27(13-12-26-11-10-24(3)20-30(26)31)22-36(28,6)34(29)18-19-35(32,33)5/h10-13,20,23,25,28-29,32-34H,7-9,14-19,21-22H2,1-6H3/t25-,28?,29+,32-,33+,34+,35-,36+/m1/s1
InChIKey NDYKHZKMHRKXQV-XWQSPQFRSA-N
Molecular Weight 484.812 g/mol
Nominal Mass 484 u
Number of Peaks 332
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)ccc2c1cc(cc2)C
SPLASH splash10-001i-8941800000-fa84b6f5d0241616019e
Source File Reference LMCM-77644-321H
Synonyms 1-(1,5-DIMETHYLHEXYL)-8,13A,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)-6,14,18-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_8390