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I-22,23-Dihydrostigmasterol

View entire compound with spectra: 1 NMR, and 1 FTIR

I-22,23-Dihydrostigmasterol
SpectraBase Compound ID F203TNiKvIs
InChI InChI=1S/C29H50O/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(30)29-17-21(29)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30H,7-17H2,1-6H3
InChIKey BWADPFOCSXURLA-UHFFFAOYSA-N
Mol Weight 414.7 g/mol
Molecular Formula C29H50O
Exact Mass 414.386166 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JIttLO8Trji
Name I-22,23-Dihydrostigmasterol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.386166229 u
Formula C29H50O
InChI InChI=1S/C29H50O/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-16-26(30)29-17-21(29)12-15-28(29,6)25(22)13-14-27(23,24)5/h18-26,30H,7-17H2,1-6H3
InChIKey BWADPFOCSXURLA-UHFFFAOYSA-N
Molecular Weight 414.718 g/mol
SMILES C12CCC3(C2(C1)C(CC1C3CCC2(C1CCC2C(CCC(C(C)C)CC)C)C)O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.802239