Ballodiolic acid

Ballodiolic acid

Common Name: Ballodiolic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O4/c1-14-7-10-20(3)16(18(23)24)5-4-6-17(20)19(14,2)11-8-15(13-22)9-12-21/h5,14-15,17,21-22H,4,6-13H2,1-3H3,(H,23,24)/t14-,15?,17-,19+,20+/m1/s1

InChIKey: InChIKey=BIRYTQFFNQPJBQ-UXWDVIHESA-N

Formula: C20H34O4

Molecular Weight: 338.482323

Exact Mass: 338.24571

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahmad, V.U., Farooq, U., Hussain, J., Ullah, F., Nawaz, S.A., Choudhary, M.I. Chem Pharm Bull (2004) 52, 441-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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)

Carbon NMR Peaks

Position PPM
1 (CH2) 17.5
2 (CH2) 27.4
3 (CH) 140
4 (C) 141.3
5 (C) 37.5
6 (CH2) 35.6
7 (CH2) 27.2
8 (CH) 36.1
9 (C) 38.6
10 (CH) 46.6
11 (CH2) 35.8
12 (CH2) 24.9
13 (CH) 39.8
14 (CH2) 29.7
15 (CH2) 66.3
16 (CH2) 61.1
17 (CH3) 15.9
18 (C) 172
19 (CH3) 20.5
20 (CH3) 18.4