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11-B-H-EUDESMA-2,4-DIEN-12,6-A-OLIDE,15-HYDROXY-1-OXO

View entire compound with spectra: 1 NMR, and 1 MS (GC)

11-B-H-EUDESMA-2,4-DIEN-12,6-A-OLIDE,15-HYDROXY-1-OXO
SpectraBase Compound ID HKbgLfTEOVB
InChI InChI=1S/C15H18O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h3-4,8,10,13,16H,5-7H2,1-2H3/t8-,10-,13-,15-/m0/s1
InChIKey GLQZANDEPOTJDM-BOCCBSBMSA-N
Mol Weight 262.3 g/mol
Molecular Formula C15H18O4
Exact Mass 262.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXe50Ba4cQu
Name (3S,3aS,5aR,9bS)-3,5a-dimethyl-9-methylol-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,6-quinone
CAS Registry Number 132458-83-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O4
InChI InChI=1S/C15H18O4/c1-8-10-5-6-15(2)11(17)4-3-9(7-16)12(15)13(10)19-14(8)18/h3-4,8,10,13,16H,5-7H2,1-2H3/t8-,10-,13-,15-/m0/s1
InChIKey GLQZANDEPOTJDM-BOCCBSBMSA-N
Molecular Weight 262.305 g/mol
SMILES OCC1=C2[C@]3(OC(=O)[C@]([C@]3([H])CC[C@]2(C(=O)C=C1)C)(C)[H])[H]
SPLASH splash10-006x-0960000000-65ec6573772dddf84541
Source of Spectrum F-46-7948-5
Synonyms (3S,3aS,5aR,9bS)-9-(hydroxymethyl)-3,5a-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g]benzofuran-2,6-dione (3S,3aS,5aR,9bS)-9-(hydroxymethyl)-3,5a-dimethyl-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2,6-dione
Wiley ID 1265864