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1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8-(hydroxymethyl)-1,4a,7,8a-tetramethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,4b.beta.,8.alpha.,8a.alpha.,10a.beta.)]-
SpectraBase Compound ID 6motcjXgUMg
InChI InChI=1S/C21H34O3/c1-14-7-8-16-19(2,15(14)13-22)12-9-17-20(16,3)10-6-11-21(17,4)18(23)24-5/h7,15-17,22H,6,8-13H2,1-5H3/t15-,16+,17-,19+,20-,21+/m1/s1
InChIKey ZKSRFVFIBIDDGO-AZUBXHIKSA-N
Mol Weight 334.5 g/mol
Molecular Formula C21H34O3
Exact Mass 334.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PX7zZP9i9f
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8-(hydroxymethyl)-1,4a,7,8a-tetramethyl-, methyl ester, [1S-(1.alpha.,4a.alpha.,4b.beta.,8.alpha.,8a.alpha.,10a.beta.)]-
CAS Registry Number 94354-80-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H34O3
InChI InChI=1S/C21H34O3/c1-14-7-8-16-19(2,15(14)13-22)12-9-17-20(16,3)10-6-11-21(17,4)18(23)24-5/h7,15-17,22H,6,8-13H2,1-5H3/t15-,16+,17-,19+,20-,21+/m1/s1
InChIKey ZKSRFVFIBIDDGO-AZUBXHIKSA-N
Molecular Weight 334.500 g/mol
SMILES OC[C@]1([C@]2([C@@]([C@]3(CCC[C@@]([C@@]3(CC2)[H])(C(=O)OC)C)C)(CC=C1C)[H])C)[H]
SPLASH splash10-05d0-9841000000-d576eb7561619f7b6a48
Source of Spectrum KC-1990-2432-9
Synonyms ent-methyl 15-hydroxyisocopal-12-en-19-oate Methyl (4alpha,14beta)-14-(hydroxymethyl)-8,13-dimethylpodocarp-12-en-15-oate Methyl ent-15-hydroxy -iso-copal-12-en-19-oate[1S-(1.alpha.,4a.alpha.,4b.beta.,8.alpha.,8a.alpha.,10a.beta)]- 1,2,3,4,4a,4b,5,8,8a,9,10,10a-dodecahydro-8-(hydroxymethyl)-1,4a,7,8a-tetramethyl-phenanthrene-1-carboxylix acid, methyl ester
Wiley ID 1331340