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13-isopropylpodocarpa-8,11,13-trien-15-oic acid

View entire compound with spectra: 5 NMR, 1 FTIR, and 5 MS (GC)

13-isopropylpodocarpa-8,11,13-trien-15-oic acid
SpectraBase Compound ID DP3mkB3qfif
InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
InChIKey NFWKVWVWBFBAOV-MISYRCLQSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xp5ENYxGIr
Name 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1R-(1.alpha.,4a.beta.,10a.alpha.)]-
Alternate Name(s) Abietic acid, dehydro- Podocarpa-8,11,13-trien-15-oic acid, 13-isopropyl- (1R-(1alpha,4abeta,10aalpha))-1,2,3,4,4a,9,10,10a-octahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylic acid 1,2,3,4,4a,9,10,10a-Octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenecarboxylic acid 1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aS,10aR)- 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1S-(1.alpha.,4a.alpha.,10a.beta.)]- 13-Isopropylpodocarpa-8,11,13-trien-15-oic acid 13-Isopropylpodocarpa-8,11,13-trien-16-oic acid 4-Epiabietic acid, dehydro- 7-isopropyl-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid Abieta-8,11,13-trien-18-oic acid Callitrisic acid Dehydroabietate Isopropyl podocarpa-8,11,13-trien-15-oic acid Podocarpa-8,11,13-trien-16-oic acid, 13-isopropyl- (1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylic acid BRN 2059290 EINECS 217-102-8 NSC 2952
CAS Registry Number 1740-19-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O2
InChI InChI=1S/C20H28O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h6,8,12-13,17H,5,7,9-11H2,1-4H3,(H,21,22)/t17-,19-,20-/m1/s1
InChIKey NFWKVWVWBFBAOV-MISYRCLQSA-N
Molecular Weight 300.442 g/mol
SMILES OC([C@]1([C@]2([C@@](c3c(cc(cc3)C(C)C)CC2)(CCC1)C)[H])C)=O
SPLASH splash10-000i-4981000000-64d202523e8573eb590d
Wiley ID 1491042