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Licorisoflavan A, 2me derivative

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

Licorisoflavan A, 2me derivative
SpectraBase Compound ID IYtcWNzSwKJ
InChI InChI=1S/C29H38O5/c1-18(2)9-11-22-25(30-5)14-13-21(28(22)32-7)20-15-24-27(34-17-20)16-26(31-6)23(29(24)33-8)12-10-19(3)4/h9-10,13-14,16,20H,11-12,15,17H2,1-8H3/t20-/m0/s1
InChIKey SAUYKYIZXOZMLB-FQEVSTJZSA-N
Mol Weight 466.6 g/mol
Molecular Formula C29H38O5
Exact Mass 466.271924 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EKYJaSfj6ip
Name Licorisoflavan A, 2me derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 466.271924319 u
Formula C29H38O5
InChI InChI=1S/C29H38O5/c1-18(2)9-11-22-25(30-5)14-13-21(28(22)32-7)20-15-24-27(34-17-20)16-26(31-6)23(29(24)33-8)12-10-19(3)4/h9-10,13-14,16,20H,11-12,15,17H2,1-8H3/t20-/m0/s1
InChIKey SAUYKYIZXOZMLB-FQEVSTJZSA-N
Molecular Weight 466.618 g/mol
SMILES C1[C@](CC2=C(O1)C=C(C(=C2OC)CC=C(C)C)OC)(C1=C(C(=C(C=C1)OC)CC=C(C)C)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.874015