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Heptaleno[1,2-c]furan-3(1H)-one, 9-(1,1-dimethylethyl)-1-(2,2-dimethylpropoxy)-1-methoxy-6,7,11-trimethyl-, stereoisomer
SpectraBase Compound ID JzJgWuH2U8J
InChI InChI=1S/C27H36O4/c1-16-11-12-20-23(27(29-10,31-24(20)28)30-15-25(4,5)6)22-18(3)14-19(26(7,8)9)13-17(2)21(16)22/h11-14H,15H2,1-10H3/t27-/m1/s1
InChIKey BMKQPDBOFRATPO-HHHXNRCGSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lobKlaQGCv
Name Heptaleno[1,2-c]furan-3(1H)-one, 9-(1,1-dimethylethyl)-1-(2,2-dimethylpropoxy)-1-methoxy-6,7,11-trimethyl-, stereoisomer
CAS Registry Number 115401-28-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-16-11-12-20-23(27(29-10,31-24(20)28)30-15-25(4,5)6)22-18(3)14-19(26(7,8)9)13-17(2)21(16)22/h11-14H,15H2,1-10H3/t27-/m1/s1
InChIKey BMKQPDBOFRATPO-HHHXNRCGSA-N
Molecular Weight 424.581 g/mol
SMILES [C@@]1(C2=C3C(=C(C=C(C=C3C)C(C)(C)C)C)C(C)=CC=C2C(O1)=O)(OCC(C)(C)C)OC
SPLASH splash10-0079-0029400000-9fdefae05d715e0e4d0b
Source of Spectrum H-70-1456-35
Synonyms (pm,3RS)-13-(tert-butyl)-3-methoxy-9,11,15-trimethyl-3-neopentyloxy-4-oxatricyclo[8.5.0.0(2,6)]pentadeca-1,6,8,10,12,14-hexaen-5-one 9-tert-Butyl-1-methoxy-6,7,11-trimethyl-1-(neopentyloxy)heptaleno[1,2-c]furan-3(1H)-one
Wiley ID 1379423