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exo,exo-Benzo[1,2-h:4,5-h']bis(11-hydroxy-11-methylnaphtho[2,3-c]bicyclo[4.4.1]undeca-3,8-diene) isomer
SpectraBase Compound ID JnLwM3G6zVf
InChI InChI=1S/C42H42O2/c1-41(43)37-17-29-11-25-7-3-4-8-26(25)12-30(29)18-38(41)22-34-16-36-24-40-20-32-14-28-10-6-5-9-27(28)13-31(32)19-39(42(40,2)44)23-35(36)15-33(34)21-37/h3-16,37-40,43-44H,17-24H2,1-2H3/t37-,38+,39-,40+,41-,42-
InChIKey RCNSKNIQZJXSGN-HVGQPQFASA-N
Mol Weight 578.8 g/mol
Molecular Formula C42H42O2
Exact Mass 578.318481 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HofDyMQuiVH
Name exo,exo-Benzo[1,2-h:4,5-h']bis(11-hydroxy-11-methylnaphtho[2,3-c]bicyclo[4.4.1]undeca-3,8-diene) isomer
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H42O2
InChI InChI=1S/C42H42O2/c1-41(43)37-17-29-11-25-7-3-4-8-26(25)12-30(29)18-38(41)22-34-16-36-24-40-20-32-14-28-10-6-5-9-27(28)13-31(32)19-39(42(40,2)44)23-35(36)15-33(34)21-37/h3-16,37-40,43-44H,17-24H2,1-2H3/t37-,38+,39-,40+,41-,42-
InChIKey RCNSKNIQZJXSGN-HVGQPQFASA-N
Molecular Weight 578.796 g/mol
SMILES O[C@]1([C@@]2(Cc3cc4C[C@@]5(Cc6cc7ccccc7cc6C[C@@]([C@]5(O)C)(Cc4cc3C[C@]1(Cc1cc3ccccc3cc1C2)[H])[H])[H])[H])C
SPLASH splash10-056r-0795080000-3e908e63ba490e34ceec
Source of Spectrum F-54-5181-12c
Wiley ID 806655