ent-15α-Hydroxykaur-16-en-19-oic acid

ent-15α-Hydroxykaur-16-en-19-oic acid

Common Name: ent-15α-Hydroxykaur-16-en-19-oic acid

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=GVGJRXSJJHLPGZ-JXNMKVQOSA-N

Formula: C20H30O3

Molecular Weight: 318.451155

Exact Mass: 318.219495

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Nagashima, F., Tanaka, H., Asakawa, Y. Phytochemistry (1997) 44, 653-7

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) 40.6
2 (CH2) 19.2
3 (CH2) 38
4 (C) 43.7
5 (CH) 56.4
6 (CH2) 21.6
7 (CH2) 38.9
8 (C) 45.7
9 (CH) 45.5
10 (C) 39.3
11 (CH2) 18.3
12 (CH2) 33.1
13 (CH) 40
14 (CH2) 36.3
15 (CH) 82.5
16 (C) 158.3
17 (CH2) 104.8
18 (CH3) 29
19 (C) 183.1
20 (CH3) 15.7