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Methyl dihydroisosteviol

View entire compound with spectra: 1 FTIR

Methyl dihydroisosteviol
SpectraBase Compound ID 8ScIyYNAdaD
InChI InChI=1S/C21H34O3/c1-18-10-6-15-19(2)8-5-9-20(3,17(23)24-4)14(19)7-11-21(15,13-18)12-16(18)22/h14-16,22H,5-13H2,1-4H3
InChIKey LYFJGTIFFFMUCR-UHFFFAOYSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FBkE89bIi1s
Name Methyl dihydroisosteviol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.250794952 u
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-18-10-6-15-19(2)8-5-9-20(3,17(23)24-4)14(19)7-11-21(15,13-18)12-16(18)22/h14-16,22H,5-13H2,1-4H3
InChIKey LYFJGTIFFFMUCR-UHFFFAOYSA-N
Molecular Weight 334.500 g/mol
SMILES CC12C(O)CC3(C2)C(C2(C)CCCC(C(OC)=O)(C)C2CC3)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.846529