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Acetic acid (R)-4-acetoxymethyl-3-((R)-acetoxymethyl)-5-((3as,7as)-4,4,7A-trimethyl-octahydro-inden-1-yl)-hex-5-enyl ester

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Acetic acid (R)-4-acetoxymethyl-3-((R)-acetoxymethyl)-5-((3as,7as)-4,4,7A-trimethyl-octahydro-inden-1-yl)-hex-5-enyl ester
SpectraBase Compound ID DtyeZay3qey
InChI InChI=1S/C26H42O6/c1-17(23-9-10-24-25(5,6)12-8-13-26(23,24)7)22(16-32-20(4)29)21(15-31-19(3)28)11-14-30-18(2)27/h21-24H,1,8-16H2,2-7H3/t21-,22-,23?,24-,26+/m0/s1
InChIKey GNNFRICSQACMOM-NHCFEOAFSA-N
Mol Weight 450.6 g/mol
Molecular Formula C26H42O6
Exact Mass 450.298139 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1YehUBzTv1d
Name Acetic acid (R)-4-acetoxymethyl-3-((R)-acetoxymethyl)-5-((3as,7as)-4,4,7A-trimethyl-octahydro-inden-1-yl)-hex-5-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 450.298139066 u
Formula C26H42O6
InChI InChI=1S/C26H42O6/c1-17(23-9-10-24-25(5,6)12-8-13-26(23,24)7)22(16-32-20(4)29)21(15-31-19(3)28)11-14-30-18(2)27/h21-24H,1,8-16H2,2-7H3/t21-,22-,23?,24-,26+/m0/s1
InChIKey GNNFRICSQACMOM-NHCFEOAFSA-N
Molecular Weight 450.616 g/mol
SMILES [C@@]12(C(C([C@](COC(=O)C)([C@](COC(=O)C)(CCOC(=O)C)[H])[H])=C)CC[C@]2(C(C)(C)CCC1)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881768