3b,16a,17-Trihydroxy-ent-kauran-19-oic acid

3b,16a,17-Trihydroxy-ent-kauran-19-oic acid

Common Name: 3b,16a,17-Trihydroxy-ent-kauran-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O5/c1-17-7-6-15(22)18(2,16(23)24)13(17)5-8-19-9-12(3-4-14(17)19)20(25,10-19)11-21/h12-15,21-22,25H,3-11H2,1-2H3,(H,23,24)/t12-,13+,14+,15+,17-,18+,19+,20+/m1/s1

InChIKey: InChIKey=GBVSUOGDPKMXFY-OOILVXPJSA-N

Formula: C20H32O5

Molecular Weight: 352.465847

Exact Mass: 352.224974

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Ohkoshi, E., Kamo, S., Makino, M., Fujimoto, Y. Phytochemistry (2004) 65, 885-90

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) 33.7
2 (CH2) 26
3 (CH) 68.8
4 (C) 46.8
5 (CH) 47.7
6 (CH2) 21.5
7 (CH2) 42
8 (C) 44
9 (CH) 55.3
10 (C) 40.1
11 (CH2) 18.1
12 (CH2) 25.8
13 (CH) 44.5
14 (CH2) 36.8
15 (CH2) 52.8
16 (C) 80.5
17 (CH2) 65.3
18 (CH3) 24.2
19 (C) 178.8
20 (CH3) 15.1