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2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethly-6H-dibenzo[b,d]pyran-3-yl]acetic Acid
SpectraBase Compound ID 1VBcZgeI3dL
InChI InChI=1S/C18H22O4/c1-10-4-5-13-12(6-10)17-14(19)7-11(9-16(20)21)8-15(17)22-18(13,2)3/h4,7-8,12-13,19H,5-6,9H2,1-3H3,(H,20,21)/t12-,13-/m1/s1
InChIKey OJEXEXIMQPBJQS-CHWSQXEVSA-N
Mol Weight 302.37 g/mol
Molecular Formula C18H22O4
Exact Mass 302.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4O98DMLWAaG
Name 2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethly-6H-dibenzo[b,d]pyran-3-yl]acetic Acid
Appearance Light yellow gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O4
InChI InChI=1S/C18H22O4/c1-10-4-5-13-12(6-10)17-14(19)7-11(9-16(20)21)8-15(17)22-18(13,2)3/h4,7-8,12-13,19H,5-6,9H2,1-3H3,(H,20,21)/t12-,13-/m1/s1
InChIKey OJEXEXIMQPBJQS-CHWSQXEVSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm4016075
Molecular Weight 302.370 g/mol
SMILES OC(Cc1cc2OC([C@@]3(CC=C(C[C@]3(c2c(c1)O)[H])C)[H])(C)C)=O
SPLASH splash10-0fsi-3093000000-d0ca0319b04812dedfa5
Source of Spectrum AF-56-10151-3a
Wiley ID 1854669