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2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methylpropanoic Acid Butyl Ester
SpectraBase Compound ID GpV95rWU7nt
InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
InChIKey BCRQALSSNMYCDD-QZTJIDSGSA-N
Mol Weight 386.5 g/mol
Molecular Formula C24H34O4
Exact Mass 386.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dO6GJc5off
Name 2-[(6aR,10aR)-6a,7,10,10a-Tetrahydro-1-hydroxy-6,6,9-trimethyl-6H-dibenzo[b,d]pyran-3-yl]-2-methylpropanoic Acid Butyl Ester
Appearance Light yellow gum
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H34O4
InChI InChI=1S/C24H34O4/c1-7-8-11-27-22(26)23(3,4)16-13-19(25)21-17-12-15(2)9-10-18(17)24(5,6)28-20(21)14-16/h9,13-14,17-18,25H,7-8,10-12H2,1-6H3/t17-,18-/m1/s1
InChIKey BCRQALSSNMYCDD-QZTJIDSGSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jm4016075
Molecular Weight 386.532 g/mol
SMILES Oc1c2c(OC([C@]3([C@]2(CC(=CC3)C)[H])[H])(C)C)cc(c1)C(C(OCCCC)=O)(C)C
SPLASH splash10-0f79-0049000000-fa8f9f93ea59ac056aa6
Source of Spectrum AF-56-10154-2d
Wiley ID 1854668