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Spiro[2H-1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6,8-dicarboxylic acid, 3,4-dihydro-5,7-dimethoxy-2',2'-dimethyl-4-(2-methylpropyl)-, dimethyl ester, [1'.alpha.,3'.alpha.,3'(S*),5'.alpha.]-(.+-.)-
SpectraBase Compound ID L7hmHqATEW7
InChI InChI=1S/C27H38O7/c1-14(2)11-16-13-27(12-15-9-10-17(15)26(27,3)4)34-23-18(16)21(30-5)19(24(28)32-7)22(31-6)20(23)25(29)33-8/h14-17H,9-13H2,1-8H3/t15-,16?,17-,27-/m0/s1
InChIKey NFOVNCKSDUXAOE-IKRNOXJZSA-N
Mol Weight 474.6 g/mol
Molecular Formula C27H38O7
Exact Mass 474.261754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2isXkVxMKu
Name Spiro[2H-1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6,8-dicarboxylic acid, 3,4-dihydro-5,7-dimethoxy-2',2'-dimethyl-4-(2-methylpropyl)-, dimethyl ester, [1'.alpha.,3'.alpha.,3'(S*),5'.alpha.]-(.+-.)-
CAS Registry Number 114925-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O7
InChI InChI=1S/C27H38O7/c1-14(2)11-16-13-27(12-15-9-10-17(15)26(27,3)4)34-23-18(16)21(30-5)19(24(28)32-7)22(31-6)20(23)25(29)33-8/h14-17H,9-13H2,1-8H3/t15-,16?,17-,27-/m0/s1
InChIKey NFOVNCKSDUXAOE-IKRNOXJZSA-N
Molecular Weight 474.594 g/mol
SMILES c12c(c(OC)c(c(c2C(CC(C)C)C[C@]2(O1)C([C@]1(CC[C@]1(C2)[H])[H])(C)C)OC)C(=O)OC)C(=O)OC
SPLASH splash10-066u-9002300000-8681f6f12bd5506ae9b8
Source of Spectrum J-53-3680-22
Synonyms 6,8-Dimethyl (1'S,2S,5'S)-5,7-dimethoxy-4',4'-dimethyl-4-(2-methylpropyl)-3,4-dihydrospiro[1-benzopyran-2,3'-bicyclo[3.2.0]heptane]-6,8-dicarboxylate
Wiley ID 1393905