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(1'R,2R,5'S)-4-isobutyl-5,7-dimethoxy-6',6'-dimethyl-spiro[chroman-2,2'-norpinane]-6,8-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 5Ee2gcIzTFn
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-CJOSBZDYSA-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 BkMFlit16ml
Name (1'R,2R,5'S)-4-isobutyl-5,7-dimethoxy-6',6'-dimethyl-spiro[chroman-2,2'-norpinane]-6,8-dicarboxylic acid dimethyl ester
CAS Registry Number 115463-52-0
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-CJOSBZDYSA-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 splash10-0ktr-7149200000-166354181a56e6b8d51a
Source of Spectrum J-54-1568-10
Synonyms (1'S,2R,5'R)-5,7-dimethoxy-6',6'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydro-2H-1-benzopyran-2,4'-bicyclo[3.1.1]heptane]-6,8-dicarboxylic acid dimethyl ester Dimethyl (1'R,2R,5'S)-4-isobutyl-5,7-dimethoxy-6',6'-dimethyl-spiro[chromane-2,2'-norpinane]-6,8-dicarboxylate Dimethyl (1'S,2R,5'R)-5,7-dimethoxy-6',6'-dimethyl-4-(2-methylpropyl)spiro[3,4-dihydrochromene-2,4'-bicyclo[3.1.1]heptane]-6,8-dicarboxylate
Wiley ID 1393911