(ent)-16β,17-Dihydroxykaur-20-oic acid

(ent)-16β,17-Dihydroxykaur-20-oic acid

Common Name: (ent)-16β,17-Dihydroxykaur-20-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O4/c1-17(2)7-3-8-20(16(22)23)14(17)6-9-18-10-13(4-5-15(18)20)19(24,11-18)12-21/h13-15,21,24H,3-12H2,1-2H3,(H,22,23)/t13-,14-,15-,18+,19+,20+/m1/s1

InChIKey: InChIKey=CHJKFVYWZQJYCI-SNDCPDFKSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Midiwo, J.O., Owuor, F.A.O., Juma, B.F., Waterman, P.G. Phytochemistry (1997) 45, 117-20

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) 36.8
2 (CH2) 21.9
3 (CH2) 43.4
4 (C) 34.7
5 (CH) 57.5
6 (CH2) 21.7
7 (CH2) 40.6
8 (C) 45.9
9 (CH) 56
10 (C) 49.4
11 (CH2) 19.7
12 (CH2) 25.9
13 (CH) 46.3
14 (CH2) 43
15 (CH2) 54.9
16 (C) 82.2
17 (CH2) 67
18 (CH3) 23.6
19 (CH3) 33.9
20 (C) 179.6