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Methyl (7S,10R,13R)-13-(3-Furyl)-1,7-dimethyl-12-oxa-11-oxotricyclo[8.4.0.0(2,7)]tetradec-5-ene-6-carboxylate (Methyl Barbascoate)

View entire compound with spectra: 2 MS (GC)

Methyl (7S,10R,13R)-13-(3-Furyl)-1,7-dimethyl-12-oxa-11-oxotricyclo[8.4.0.0(2,7)]tetradec-5-ene-6-carboxylate (Methyl Barbascoate)
SpectraBase Compound ID 78PinOmRJIa
InChI InChI=1S/C21H26O5/c1-20-9-7-15-19(23)26-16(13-8-10-25-12-13)11-21(15,2)17(20)6-4-5-14(20)18(22)24-3/h5,8,10,12,15-17H,4,6-7,9,11H2,1-3H3/t15-,16+,17-,20-,21-/m0/s1
InChIKey CCRPRTUMLVVFRR-ZCZMFWIKSA-N
Mol Weight 358.43 g/mol
Molecular Formula C21H26O5
Exact Mass 358.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zkbL0w5Vlt
Name 2H-Naphtho[2,1-c]pyran-7-carboxylic acid, 2-(3-furanyl)-1,4,4a,5,6,6a,9,10,10a,10b-decahydro-6a,10b-dimethyl-4- oxo-, methyl ester, [2R-(2.alpha.,4a.beta.,6a.alpha.,10a.beta.,10b.alpha.)]-
Alternate Name(s) Methyl barbus coute
CAS Registry Number 60132-72-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O5
InChI InChI=1S/C21H26O5/c1-20-9-7-15-19(23)26-16(13-8-10-25-12-13)11-21(15,2)17(20)6-4-5-14(20)18(22)24-3/h5,8,10,12,15-17H,4,6-7,9,11H2,1-3H3/t15-,16+,17-,20-,21-/m0/s1
InChIKey CCRPRTUMLVVFRR-ZCZMFWIKSA-N
Molecular Weight 358.434 g/mol
SMILES [C@@]12([C@@]3([C@@](C(C(=O)OC)=CCC3)(C)CC[C@]2(C(=O)O[C@](C1)(c1cocc1)[H])[H])[H])C
SPLASH splash10-052f-9200000000-7e326773a7dbbe1d95cf
Source of Spectrum C-98-3670-0
Wiley ID 1347159