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Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-7-oxo-
SpectraBase Compound ID Ghsc7ID5quT
InChI InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1
InChIKey MSWJSDLNPCSSNW-MISYRCLQSA-N
Mol Weight 314.43 g/mol
Molecular Formula C20H26O3
Exact Mass 314.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8m3xaEtKnF
Name Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl-7-oxo-
CAS Registry Number 18684-55-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26O3
InChI InChI=1S/C20H26O3/c1-12(2)13-6-7-15-14(10-13)16(21)11-17-19(15,3)8-5-9-20(17,4)18(22)23/h6-7,10,12,17H,5,8-9,11H2,1-4H3,(H,22,23)/t17-,19-,20-/m1/s1
InChIKey MSWJSDLNPCSSNW-MISYRCLQSA-N
Molecular Weight 314.425 g/mol
SMILES OC([C@]1([C@]2([C@@](c3ccc(cc3C(C2)=O)C(C)C)(CCC1)C)[H])C)=O
SPLASH splash10-0w29-0094000000-68289131e31e5755eceb
Source of Spectrum U-1992-917-4
Synonyms (1R,4aS,10aR)-1,4a-dimethyl-9-oxidanylidene-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (1R,4aS,10aR)-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (1R,4aS,10aR)-7-isopropyl-1,4a-dimethyl-9-oxo-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid (1R,4aS,10aR)-7-isopropyl-9-keto-1,4a-dimethyl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylic acid 13-Isopropyl-7-oxopodocarpa-8,11,13-trien-15-oic acid 7-Ketodehydroabietic acid BRN 3216723
Wiley ID 764424