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#11;Methyl-(1R-(1-alpha,4A-beta,4B-alpha,10A-alpha))-9-acetoxy-1,2,3,4,4A,4B,5,6,10,10A-decahydro-1,4A-dimethyl-7-(1-methylethyl)-phenanthrene-1-carboxylate

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

#11;Methyl-(1R-(1-alpha,4A-beta,4B-alpha,10A-alpha))-9-acetoxy-1,2,3,4,4A,4B,5,6,10,10A-decahydro-1,4A-dimethyl-7-(1-methylethyl)-phenanthrene-1-carboxylate
SpectraBase Compound ID JonBmCbZpu9
InChI InChI=1S/C23H34O4/c1-14(2)16-8-9-18-17(12-16)19(27-15(3)24)13-20-22(18,4)10-7-11-23(20,5)21(25)26-6/h12,14,18,20H,7-11,13H2,1-6H3/t18-,20+,22+,23+/m0/s1
InChIKey OLCJYNROJQOFKI-CVNLYIMZSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 58TyymBFkz2
Name #11;Methyl-(1R-(1-alpha,4A-beta,4B-alpha,10A-alpha))-9-acetoxy-1,2,3,4,4A,4B,5,6,10,10A-decahydro-1,4A-dimethyl-7-(1-methylethyl)-phenanthrene-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-14(2)16-8-9-18-17(12-16)19(27-15(3)24)13-20-22(18,4)10-7-11-23(20,5)21(25)26-6/h12,14,18,20H,7-11,13H2,1-6H3/t18-,20+,22+,23+/m0/s1
InChIKey OLCJYNROJQOFKI-CVNLYIMZSA-N
Molecular Weight 374.521 g/mol
SMILES C(=O)([C@@]1(CCC[C@]2([C@]1(CC(OC(=O)C)=C1[C@@]2(CCC(=C1)C(C)C)[H])[H])C)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.823162