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1-Phenanthreneacetaldehyde, 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-, [1S-(1.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-
SpectraBase Compound ID 5QrknUiTwmE
InChI InChI=1S/C21H34O/c1-15-7-8-18-20(4,16(15)10-14-22)13-9-17-19(2,3)11-6-12-21(17,18)5/h7,14,16-18H,6,8-13H2,1-5H3/t16-,17+,18+,20+,21+/m0/s1
InChIKey FDFBNXUMZLHYDZ-QOLKULSZSA-N
Mol Weight 302.5 g/mol
Molecular Formula C21H34O
Exact Mass 302.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6g810KsGKjv
Name 1-Phenanthreneacetaldehyde, 1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-, [1S-(1.alpha.,4a.beta.,4b.alpha.,8a.beta.,10a.alpha.)]-
CAS Registry Number 121452-29-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O
InChI InChI=1S/C21H34O/c1-15-7-8-18-20(4,16(15)10-14-22)13-9-17-19(2,3)11-6-12-21(17,18)5/h7,14,16-18H,6,8-13H2,1-5H3/t16-,17+,18+,20+,21+/m0/s1
InChIKey FDFBNXUMZLHYDZ-QOLKULSZSA-N
Molecular Weight 302.502 g/mol
SMILES [C@@]12([C@]([C@@]3(CCCC([C@]3(CC2)[H])(C)C)C)(CC=C([C@@]1(CC=O)[H])C)[H])C
SPLASH splash10-0006-0901000000-281f5b64c9bc249e69da
Source of Spectrum F-44-2518-15
Synonyms iso-copal-12-ene-15-carbaldehyde[1S-(1.alpha.,4a.beta.,4b,alpha.,8a.beta.,10a.alpha.)]- 1,4,4a,4b,5,6,7,8,8a,8,10,10a-dodecahydro-2,4b,8,8,10a-pentamethyl-1-penanthrene-acetaldehyde Isocopal-12-ene-15-carbaldehyde [(5beta,8alpha,9beta,10alpha,14alpha)-8,13-dimethylpodocarp-12-en-14-yl]acetaldehyde
Wiley ID 1305266