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Spiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-6,8-dicarboxylic acid, 3,4-dihydro-5,7-dimethoxy-6',6'-dimethyl-4-(2-methylpropyl)-, dimethyl ester, [1'R-[1'.alpha.,2'.beta.(R*),5'.alpha.]]-
SpectraBase Compound ID 9vLloOdUYle
InChI InChI=1S/C27H38O7/c1-14(2)11-15-13-27(10-9-16-12-17(27)26(16,3)4)34-23-18(15)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 WETKLNRNTBKFON-NSHYODJOSA-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 GYVyD2djb7U
Name Spiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-6,8-dicarboxylic acid, 3,4-dihydro-5,7-dimethoxy-6',6'-dimethyl-4-(2-methylpropyl)-, dimethyl ester, [1'R-[1'.alpha.,2'.beta.(R*),5'.alpha.]]-
CAS Registry Number 115510-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H38O7
InChI InChI=1S/C27H38O7/c1-14(2)11-15-13-27(10-9-16-12-17(27)26(16,3)4)34-23-18(15)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 WETKLNRNTBKFON-NSHYODJOSA-N
Molecular Weight 474.594 g/mol
SMILES c12c(c(OC)c(c(c2C(CC(C)C)C[C@]2(O1)[C@]1(C(C)(C)[C@](CC2)([H])C1)[H])OC)C(=O)OC)C(=O)OC
SPLASH splash10-0k9i-1049200000-addccde610e3c03fd2b9
Source of Spectrum J-54-1569-13
Synonyms Spiro[2H-1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-6,8-dicarboxylic acid, 3,4-dihydro-5,7-dimethoxy-6',6'-dimethyl-4-(2-methylpropyl)-, dimethyl ester, [1'R-[1'.alpha.,2'.alpha.(R*),5'.alpha.]]- 6,8-Dimethyl (1'R,2S,5'S)-5,7-dimethoxy-6',6'-dimethyl-4-(2-methylpropyl)-3,4-dihydrospiro[1-benzopyran-2,2'-bicyclo[3.1.1]heptane]-6,8-dicarboxylate
Wiley ID 1393914