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(4aR,8aS,9aR,10s,10aS)-icosahydro-9,10-[1,2]benzenoanthracene-9-carboxylic acid
SpectraBase Compound ID B1OQE07AOoc
InChI InChI=1S/C21H32O2/c22-20(23)21-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21)15-9-3-6-12-18(15)21/h13-19H,1-12H2,(H,22,23)/t13-,14-,15+,16+,17+,18-,19-,21-/m0/s1
InChIKey ULTZYVSSXFXIMH-QHMOWBATSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LUZKLjItefr
Name (4aR,8aS,9aR,10s,10aS)-icosahydro-9,10-[1,2]benzenoanthracene-9-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32O2
InChI InChI=1S/C21H32O2/c22-20(23)21-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)21)15-9-3-6-12-18(15)21/h13-19H,1-12H2,(H,22,23)/t13-,14-,15+,16+,17+,18-,19-,21-/m0/s1
InChIKey ULTZYVSSXFXIMH-QHMOWBATSA-N
Molecular Weight 316.485 g/mol
SMILES OC([C@]12[C@@]3(CCCC[C@@]3([C@@]([C@@]3([C@]2(CCCC3)[H])[H])([C@]2([C@@]1(CCCC2)[H])[H])[H])[H])[H])=O
SPLASH splash10-00m0-6951000000-c06dc58462fe97834702
Source of Spectrum JX-2015-3-136
Wiley ID 1723734