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Methyl 13-ethyl-12-hydroxypodocarpa-8,11,13-trien-19-oate

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

Methyl 13-ethyl-12-hydroxypodocarpa-8,11,13-trien-19-oate
SpectraBase Compound ID UoBKaBTEPe
InChI InChI=1S/C20H28O3/c1-5-13-11-14-7-8-17-19(2,15(14)12-16(13)21)9-6-10-20(17,3)18(22)23-4/h11-12,17,21H,5-10H2,1-4H3/t17-,19-,20+/m1/s1
InChIKey UTXKMRGHLPEZJV-RLLQIKCJSA-N
Mol Weight 316.44 g/mol
Molecular Formula C20H28O3
Exact Mass 316.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ijr7ZtlRTOD
Name (1S,4aS,10aR)-7-ethyl-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid methyl ester
Alternate Name(s) Methyl (1S,4aS,10aR)-7-ethyl-1,4a-dimethyl-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Methyl (1S,4aS,10aR)-7-ethyl-6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
CAS Registry Number 54973-19-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O3
InChI InChI=1S/C20H28O3/c1-5-13-11-14-7-8-17-19(2,15(14)12-16(13)21)9-6-10-20(17,3)18(22)23-4/h11-12,17,21H,5-10H2,1-4H3/t17-,19-,20+/m1/s1
InChIKey UTXKMRGHLPEZJV-RLLQIKCJSA-N
Molecular Weight 316.441 g/mol
SMILES Oc1cc2[C@@]3([C@]([C@](C(=O)OC)(C)CCC3)(CCc2cc1CC)[H])C
SPLASH splash10-00kf-0197000000-92a3338be23eb51ce6f9
Source of Spectrum B-43-499-25
Wiley ID 1317098