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(4a.alpha.,8a.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9,10-bis(carboxymethyl)anthracene

View entire compound with spectra: 1 MS (GC)

(4a.alpha.,8a.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9,10-bis(carboxymethyl)anthracene
SpectraBase Compound ID J6pIXQPsDBT
InChI InChI=1S/C18H24O4/c19-17(20)9-15-11-5-1-2-6-12(11)16(10-18(21)22)14-8-4-3-7-13(14)15/h1-4,11-16H,5-10H2,(H,19,20)(H,21,22)/t11-,12-,13+,14+,15+,16+
InChIKey DRVOUBPJONYRRL-RFAOZVHWSA-N
Mol Weight 304.39 g/mol
Molecular Formula C18H24O4
Exact Mass 304.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2wrqjzmmeDo
Name (4a.alpha.,8a.beta.,9.beta.,9a.beta.,10.alpha.,10a.alpha.)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9,10-bis(carboxymethyl)anthracene
CAS Registry Number 56180-73-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24O4
InChI InChI=1S/C18H24O4/c19-17(20)9-15-11-5-1-2-6-12(11)16(10-18(21)22)14-8-4-3-7-13(14)15/h1-4,11-16H,5-10H2,(H,19,20)(H,21,22)/t11-,12-,13+,14+,15+,16+
InChIKey DRVOUBPJONYRRL-RFAOZVHWSA-N
Molecular Weight 304.386 g/mol
SMILES OC(C[C@]1([C@@]2([C@@]([C@](CC(=O)O)([C@]3([C@]1(CC=CC3)[H])[H])[H])(CC=CC2)[H])[H])[H])=O
SPLASH splash10-0006-9410000000-c0b9e7a19ed32ac67058
Source of Spectrum K-124-2527-14
Synonyms [(4aR,8aS,9aR,10aS)-10-(carboxymethyl)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-9-anthracenyl]acetic acid
Wiley ID 1306593