Common Name: 3,5,11(13)-Trieneudesma-12-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O2/c1-10-5-4-7-15(3)8-6-12(9-13(10)15)11(2)14(16)17/h5,9,12H,2,4,6-8H2,1,3H3,(H,16,17)/t12-,15-/m1/s1
InChIKey: InChIKey=PPPHDQNXPNUKNK-IUODEOHRSA-N
Formula: C15H20O2
Molecular Weight: 232.318663
Exact Mass: 232.14633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zheng, Q.X., Xu, Z.J., Sun, X.F., Gueritte, F., Cesario, M., Sun, H.D., Cheng, C.H., Hao, X.J., Zhao, Y. J Nat Prod (2003) 66, 1078-81
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Position | PPM |
---|---|
1 (CH2) | 37.1 |
2 (CH2) | 22.8 |
3 (CH) | 124.9 |
4 (C) | 131 |
5 (C) | 143.2 |
6 (CH) | 121.6 |
7 (CH) | 38.5 |
8 (CH2) | 26.3 |
9 (CH2) | 38.2 |
10 (C) | 31.3 |
11 (C) | 145.1 |
12 (CH2) | 126.1 |
13 (C) | 172.6 |
14 (CH3) | 23.4 |
15 (CH3) | 20.1 |