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[2S-(2.alpha.,4a.alpha.,4b.beta.,6.alpha.,8.alpha.,8a.alpha.)]-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-1-phenanthrenecarboxaldehyde

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

[2S-(2.alpha.,4a.alpha.,4b.beta.,6.alpha.,8.alpha.,8a.alpha.)]-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydro-6-hydroxy-8-(hydroxymethyl)-2,4b,8-trimethyl-1-phenanthrenecarboxaldehyde
SpectraBase Compound ID 1vUiBmE1iYU
InChI InChI=1S/C19H30O3/c1-12-4-6-16-14(15(12)10-20)5-7-17-18(2,11-21)8-13(22)9-19(16,17)3/h10,12-13,16-17,21-22H,4-9,11H2,1-3H3/t12-,13-,16-,17-,18+,19+/m0/s1
InChIKey MWTPNYTZKZJHTN-FXELPECLSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EW2HsMNQjXz
Name [2S-(2.alpha.,4A.alpha.,4B.beta.,6.alpha.,8.alpha.,8A.alpha.)]-2,3,4,4A,4B,5,6,7,8,8A,9,10-dodecahydro-6-hydroxy-8-(hydroxymethyl)-2,4B,8-trimethyl-1-phenanthrenecarboxaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 306.219494823 u
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-12-4-6-16-14(15(12)10-20)5-7-17-18(2,11-21)8-13(22)9-19(16,17)3/h10,12-13,16-17,21-22H,4-9,11H2,1-3H3/t12-,13-,16-,17-,18+,19+/m0/s1
InChIKey MWTPNYTZKZJHTN-FXELPECLSA-N
SMILES [C@]12([C@@]3(C(=C(C=O)[C@](CC3)(C)[H])CC[C@]1([C@](CO)(C)C[C@@](C2)(O)[H])[H])[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.935603