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Methyl 3,6-Dihydroxy-6-(3,8,8,12-tetramethyl-4-oxatricyclo[7.4.0.0(3,7)]tridecane-5-yl)-2-methylheptanoate
SpectraBase Compound ID 5lG8lDkM1vu
InChI InChI=1S/C25H44O5/c1-15-8-9-18-17(12-15)14-25(6)20(23(18,3)4)13-21(30-25)24(5,28)11-10-19(26)16(2)22(27)29-7/h15-21,26,28H,8-14H2,1-7H3
InChIKey SPYDKGZRZOCALX-UHFFFAOYSA-N
Mol Weight 424.6 g/mol
Molecular Formula C25H44O5
Exact Mass 424.318875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQIHE4BsbWc
Name Methyl 3,6-Dihydroxy-6-(3,8,8,12-tetramethyl-4-oxatricyclo[7.4.0.0(3,7)]tridecane-5-yl)-2-methylheptanoate
CAS Registry Number 105969-73-1
Comments Removed - expert review: contamination (chloroform))
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H44O5
InChI InChI=1S/C25H44O5/c1-15-8-9-18-17(12-15)14-25(6)20(23(18,3)4)13-21(30-25)24(5,28)11-10-19(26)16(2)22(27)29-7/h15-21,26,28H,8-14H2,1-7H3
InChIKey SPYDKGZRZOCALX-UHFFFAOYSA-N
Molecular Weight 424.622 g/mol
SMILES OC(CCC(C1OC2(C(C(C)(C)C3C(C2)CC(CC3)C)C1)C)(O)C)C(C(=O)OC)C
SPLASH splash10-0543-9000000000-a3ec001dc8ac04c66f28
Source of Spectrum B-46-1363-20
Synonyms Naphtho[2,3-b]furan-2-hexanoic acid, dodecahydro-.beta.,.epsilon.-Dihydroxy-.alpha.,.epsilon.,4,4,7,9a-hexamethyl-, methyl ester methyl 6-(4,4,7,9a-tetramethyldodecahydronaphtho[2,3-b]furan-2-yl)-3,6-dihydroxy-2-methylheptanoate
Wiley ID 1379381