3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione

SpectraBase Compound ID	3m7dnjDYWAK
InChI	InChI=1S/C21H28O4/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,22,25H,1,5-9,11H2,2-4H3/t13-,17+,20+,21+/m0/s1
InChIKey	XLTLVXMWNFXHCA-NUATZEMDSA-N Google Search
Mol Weight	344.45 g/mol
Molecular Formula	C21H28O4
Exact Mass	344.198759 g/mol

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SpectraBase Spectrum ID	LKNJJqqvqWH
Name	3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
CAS Registry Number	121994-50-1
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H28O4
InChI	InChI=1S/C21H28O4/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h10,13,17,22,25H,1,5-9,11H2,2-4H3/t13-,17+,20+,21+/m0/s1
InChIKey	XLTLVXMWNFXHCA-NUATZEMDSA-N
Molecular Weight	344.451 g/mol
SMILES	OC=1C(C(=C(C(C1)=O)O)C[C@]1([C@]2([C@](C(=C)CCC2)(C)CC[C@@]1(C)[H])[H])C)=O
SPLASH	splash10-0a4j-2900000000-e28bec6591b6f2d9a513
Source of Spectrum	F-45-2002-3
Synonyms	3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-2,5-dihydroxy-1,4-benzoquinone 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylene-decalin-1-yl]methyl]-2,5-dihydroxy-p-benzoquinone 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,5-bis(oxidanyl)cyclohexa-2,5-diene-1,4-dione 3-[[(1R,2S,4aS,8aS)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
Wiley ID	1338124