Ent-7a-hydroxy-kaur-16-en-19-oic acid

Ent-7a-hydroxy-kaur-16-en-19-oic acid

Common Name: Ent-7a-hydroxy-kaur-16-en-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)/t13-,14+,15+,16+,18+,19-,20+/m1/s1

InChIKey: InChIKey=KMLXVEXJZSTMBV-YDIYEOSVSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Silva, E.A., Takahashi, J.A., Boaventura, M.A., Oliveira, A.B. Phytochemistry (1999) 52, 397-400

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) 40.4
2 (CH2) 19.1
3 (CH2) 37.8
4 (C) 43.2
5 (CH) 49.1
6 (CH2) 29.7
7 (CH) 77.1
8 (C) 48.3
9 (CH) 47.2
10 (C) 39.4
11 (CH2) 17.9
12 (CH2) 33.5
13 (CH) 43.7
14 (CH2) 38.7
15 (CH2) 45.3
16 (C) 155.1
17 (CH2) 103.7
18 (CH3) 28.7
19 (C) 160
20 (CH3) 15.5