ent-12b-Hydroxy-kaur-9(11),16-dien-19-oic acid

ent-12b-Hydroxy-kaur-9(11),16-dien-19-oic acid

Common Name: ent-12b-Hydroxy-kaur-9(11),16-dien-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H28O3/c1-12-10-20-8-5-15-18(2,6-4-7-19(15,3)17(22)23)16(20)9-14(21)13(12)11-20/h9,13-15,21H,1,4-8,10-11H2,2-3H3,(H,22,23)/t13-,14+,15+,18-,19-,20-/m1/s1

InChIKey: InChIKey=YKLRBAUBANVECM-SUIOEDAWSA-N

Formula: C20H28O3

Molecular Weight: 316.435274

Exact Mass: 316.203845

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) 40.5
2 (CH2) 20.1
3 (CH2) 38.2
4 (C) 43.4
5 (CH) 48.4
6 (CH2) 18.3
7 (CH2) 46.7
8 (C) 44.7
9 (C) 160.6
10 (C) 39
11 (CH) 117.3
12 (CH) 72.6
13 (CH) 46.1
14 (CH2) 40.3
15 (CH2) 29.1
16 (C) 152.3
17 (CH2) 108.5
18 (CH3) 28.2
19 (C) 183.2
20 (CH3) 23.5