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Azuleno[6,5-b]furan-4-carboxylic acid, 2,4,4a,5,6,7,7a,8,9,9a-decahydro-3,5,8-trimethyl-2,7-dioxo-, methyl ester, (4.alpha.,4a.beta.,5.beta.,7a.alpha.,8.beta.,9a.beta.)-(.+-.)-
SpectraBase Compound ID 3yFy33cwVGa
InChI InChI=1S/C17H22O5/c1-7-5-10(18)12-8(2)6-11-14(9(3)16(19)22-11)15(13(7)12)17(20)21-4/h7-8,11-13,15H,5-6H2,1-4H3/t7-,8-,11-,12+,13+,15+/m1/s1
InChIKey RZTLZZBDYRRFKE-JASVZIICSA-N
Mol Weight 306.36 g/mol
Molecular Formula C17H22O5
Exact Mass 306.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DrAjqrhgXFV
Name Azuleno[6,5-b]furan-4-carboxylic acid, 2,4,4a,5,6,7,7a,8,9,9a-decahydro-3,5,8-trimethyl-2,7-dioxo-, methyl ester, (4.alpha.,4a.beta.,5.beta.,7a.alpha.,8.beta.,9a.beta.)-(.+-.)-
Alternate Name(s) Methyl (4S,4aS,5R,7aR,8R,9aR)-3,5,8-trimethyl-2,7-dioxo-2,4,4a,5,6,7,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-carboxylate Methyl 3a,4,4a.beta.,5,6,7,7a.alpha.,8,9,9a.beta.-decahydro-3,5.beta,8.beta.-trimethyl-7-oxoazuleno[6,5-b]furan-2(5H)-one-4.alpha.-formate
CAS Registry Number 122125-02-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O5
InChI InChI=1S/C17H22O5/c1-7-5-10(18)12-8(2)6-11-14(9(3)16(19)22-11)15(13(7)12)17(20)21-4/h7-8,11-13,15H,5-6H2,1-4H3/t7-,8-,11-,12+,13+,15+/m1/s1
InChIKey RZTLZZBDYRRFKE-JASVZIICSA-N
Molecular Weight 306.358 g/mol
SMILES C1=2[C@]([C@@]3([C@@](C(=O)C[C@]3(C)[H])([H])[C@@](C[C@]1(OC(C2C)=O)[H])(C)[H])[H])(C(=O)OC)[H]
SPLASH splash10-0080-0921000000-9d761bd6168758f4da45
Source of Spectrum F-44-4385-15
Wiley ID 1308077