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(4'aRS,7'aRS)-4'a,7'a,8',8'a-Tetrahydro-2-isopropyl-4-methyl-6',8'a-diphenylspiro[cyclohexane-1,3'-cyclohexa-[1,2,4]trioxine]
SpectraBase Compound ID 1xpX1ymki09
InChI InChI=1S/C28H34O3/c1-20(2)25-18-21(3)14-17-28(25)29-26-19-23(22-10-6-4-7-11-22)15-16-27(26,30-31-28)24-12-8-5-9-13-24/h4-13,19-21,25-26H,14-18H2,1-3H3
InChIKey UBXGJCDESRUINJ-UHFFFAOYSA-N
Mol Weight 418.6 g/mol
Molecular Formula C28H34O3
Exact Mass 418.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 89Fy0bZipsu
Name (4'aRS,7'aRS)-4'a,7'a,8',8'a-Tetrahydro-2-isopropyl-4-methyl-6',8'a-diphenylspiro[cyclohexane-1,3'-cyclohexa-[1,2,4]trioxine]
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Formula C28H34O3
InChI InChI=1S/C28H34O3/c1-20(2)25-18-21(3)14-17-28(25)29-26-19-23(22-10-6-4-7-11-22)15-16-27(26,30-31-28)24-12-8-5-9-13-24/h4-13,19-21,25-26H,14-18H2,1-3H3
InChIKey UBXGJCDESRUINJ-UHFFFAOYSA-N
Molecular Weight 418.577 g/mol
SMILES C12(OC3C=C(c4ccccc4)CCC3(OO1)c1ccccc1)C(CC(CC2)C)C(C)C
SPLASH splash10-0a59-1940000000-ca465236b57490a635ba
Source of Spectrum H-20-2454-33
Synonyms 4'-methyl-6,8a-diphenyl-2'-(propan-2-yl)-4a,7,8,8a-tetrahydrospiro[1,2,4-benzotrioxine-3,1'-cyclohexane]
Wiley ID 1377480