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Methyl 2-[(2R*,3R*,4aS*,8aR*)-1,2,3,4,4a,7,8,8a-Octahydro-3-hydroxy-4a-methyl-8-methylidene-7-oxonaphthalen-2-yl]prop-2-enoate

View entire compound with spectra: 1 MS (GC)

Methyl 2-[(2R*,3R*,4aS*,8aR*)-1,2,3,4,4a,7,8,8a-Octahydro-3-hydroxy-4a-methyl-8-methylidene-7-oxonaphthalen-2-yl]prop-2-enoate
SpectraBase Compound ID 1JXEpcnlgPO
InChI InChI=1S/C16H20O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h5-6,11-12,14,18H,1-2,7-8H2,3-4H3/t11-,12+,14-,16-/m1/s1
InChIKey GNMSMOKMXJPDOR-FAXLKDOZSA-N
Mol Weight 276.33 g/mol
Molecular Formula C16H20O4
Exact Mass 276.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DUCovXGTQSk
Name Methyl 2-[(2R*,3R*,4aS*,8aR*)-1,2,3,4,4a,7,8,8a-Octahydro-3-hydroxy-4a-methyl-8-methylidene-7-oxonaphthalen-2-yl]prop-2-enoate
Alternate Name(s) 8-O-Deacetylgerin Methyl 2-((2R,3R,4aS,8aR)-3-hydroxy-4a-methyl-8-methylene-7-oxo-1,2,3,4,4a,7,8,8a-octahydronaphthalen-2-yl)acrylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O4
InChI InChI=1S/C16H20O4/c1-9(15(19)20-4)11-7-12-10(2)13(17)5-6-16(12,3)8-14(11)18/h5-6,11-12,14,18H,1-2,7-8H2,3-4H3/t11-,12+,14-,16-/m1/s1
InChIKey GNMSMOKMXJPDOR-FAXLKDOZSA-N
Literature Reference DOI 10.1002/cbdv.200890025
Molecular Weight 276.332 g/mol
SMILES O[C@]1([C@](C[C@@]2([C@](C=CC(C2=C)=O)(C1)C)[H])(C(=C)C(=O)OC)[H])[H]
SPLASH splash10-0006-9410000000-f1368adde7dae20e07a8
Source of Spectrum CBD-5-287-3
Wiley ID 1788627