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(5ar*,8R*,9ar*}-3-Phenyl-1-[5'A,8',9',9'A-tetrahydro-3'-hydroxy-1'-methoxy-8'-(1''-methylethyl)-5'A-methyldibenzo[B,D]furan-4'-yl]propan-2-one

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(5ar*,8R*,9ar*}-3-Phenyl-1-[5'A,8',9',9'A-tetrahydro-3'-hydroxy-1'-methoxy-8'-(1''-methylethyl)-5'A-methyldibenzo[B,D]furan-4'-yl]propan-2-one
SpectraBase Compound ID 3A5fqKVRmPS
InChI InChI=1S/C26H30O4/c1-16(2)18-12-13-26(3)19(14-18)23-22(29-4)15-21(28)24(25(23)30-26)20(27)11-10-17-8-6-5-7-9-17/h5-9,12-13,15-16,18-19,28H,10-11,14H2,1-4H3/t18-,19-,26-/m1/s1
InChIKey HQPBWCKPGXUXIH-LJKQEARRSA-N
Mol Weight 406.52 g/mol
Molecular Formula C26H30O4
Exact Mass 406.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID L1CYHwZmtF7
Name (5ar*,8R*,9ar*}-3-Phenyl-1-[5'A,8',9',9'A-tetrahydro-3'-hydroxy-1'-methoxy-8'-(1''-methylethyl)-5'A-methyldibenzo[B,D]furan-4'-yl]propan-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 406.214409442 u
Formula C26H30O4
InChI InChI=1S/C26H30O4/c1-16(2)18-12-13-26(3)19(14-18)23-22(29-4)15-21(28)24(25(23)30-26)20(27)11-10-17-8-6-5-7-9-17/h5-9,12-13,15-16,18-19,28H,10-11,14H2,1-4H3/t18-,19-,26-/m1/s1
InChIKey HQPBWCKPGXUXIH-LJKQEARRSA-N
Molecular Weight 406.522 g/mol
SMILES C=12C([C@]3(C[C@](C(C)C)(C=C[C@]3(O2)C)[H])[H])=C(OC)C=C(C1C(=O)CCC=1C=CC=CC1)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826297