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(4aR,5R,6S,8aS,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-8a,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl 3-Methylbut-2-enoate

View entire compound with spectra: 1 MS (GC)

(4aR,5R,6S,8aS,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-8a,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl 3-Methylbut-2-enoate
SpectraBase Compound ID FDahvqODrM6
InChI InChI=1S/C20H28O6/c1-11(2)8-16(21)25-15-6-7-19(23)10-20(24)14(12(3)17(22)26-20)9-18(19,5)13(15)4/h8,13,15,23-24H,6-7,9-10H2,1-5H3/t13-,15-,18+,19-,20+/m0/s1
InChIKey ILKRCFPIERWOTH-DXDKRLHISA-N
Mol Weight 364.44 g/mol
Molecular Formula C20H28O6
Exact Mass 364.188589 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KItklEpXNze
Name (4aR,5R,6S,8aS,9aR)-2,4,4a,5,6,7,8,8a,9,9a-Decahydro-8a,9a-dihydroxy-3,4a,5-trimethyl-2-oxonaphtho[2,3-b]furan-6-yl 3-Methylbut-2-enoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O6
InChI InChI=1S/C20H28O6/c1-11(2)8-16(21)25-15-6-7-19(23)10-20(24)14(12(3)17(22)26-20)9-18(19,5)13(15)4/h8,13,15,23-24H,6-7,9-10H2,1-5H3/t13-,15-,18+,19-,20+/m0/s1
InChIKey ILKRCFPIERWOTH-DXDKRLHISA-N
Literature Reference DOI 10.1002/hlca.201000162
Molecular Weight 364.438 g/mol
SMILES O[C@@]12CC[C@@]([C@@]([C@]2(CC2=C(C(O[C@@]2(C1)O)=O)C)C)(C)[H])(OC(C=C(C)C)=O)[H]
SPLASH splash10-000t-9053000000-973e1ec7e606f057a06e
Source of Spectrum H-94-167-1
Synonyms Hertidin A (4aR,5R,6S,8aS,9aR)-8a,9a-dihydroxy-3,4a,5-trimethyl-2-oxo-2,4,4a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-6-yl 3-methylbut-2-enoate
Wiley ID 1785876