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1-[5-(2',2',5'-Trimethyl-6,6-dideutero-1,3-dioxacyclohex-4-yl)-3-methyl-3-hydroxypentyl]-1,2,4a-trimethyl-5-methylideneperhydronaphthalene

View entire compound with spectra: 1 MS (GC)

1-[5-(2',2',5'-Trimethyl-6,6-dideutero-1,3-dioxacyclohex-4-yl)-3-methyl-3-hydroxypentyl]-1,2,4a-trimethyl-5-methylideneperhydronaphthalene
SpectraBase Compound ID 1wkCm1NBH8s
InChI InChI=1S/C27H48O3/c1-19-18-29-24(4,5)30-22(19)13-14-25(6,28)16-17-27(8)21(3)12-15-26(7)20(2)10-9-11-23(26)27/h19,21-23,28H,2,9-18H2,1,3-8H3/i18D2
InChIKey XWZGEJWLWBBTGL-CPLZMPMBSA-N
Mol Weight 422.7 g/mol
Molecular Formula C27H462D2O3
Exact Mass 422.372899 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8iCKc9wD3VE
Name 1-[5-(2',2',5'-Trimethyl-6,6-dideutero-1,3-dioxacyclohex-4-yl)-3-methyl-3-hydroxypentyl]-1,2,4a-trimethyl-5-methylideneperhydronaphthalene
Alternate Name(s) 1-[5-(2',2',5'-trimethyl-6,6-dideutero-1,3-dioxacyclohex-4-yl)-3-methyl-3-methyl-3-hydroxypentyl]-1,2,4a-trimethyl-5-methylideneperhydronaphthalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46D2O3
InChI InChI=1S/C27H48O3/c1-19-18-29-24(4,5)30-22(19)13-14-25(6,28)16-17-27(8)21(3)12-15-26(7)20(2)10-9-11-23(26)27/h19,21-23,28H,2,9-18H2,1,3-8H3/i18D2
InChIKey XWZGEJWLWBBTGL-CPLZMPMBSA-N
Molecular Weight 422.690 g/mol
SMILES OC(CCC1(C2C(C(=C)CCC2)(CCC1C)C)C)(CCC1OC(C)(C)OC(C1C)([2D])[2D])C
SPLASH splash10-0f6w-0930000000-1df45c30d5e082b133b4
Source of Spectrum F-41-3402-0
Wiley ID 1378157