(ent)-Kaur-16-en-2-α,18,19-triol

(ent)-Kaur-16-en-2-α,18,19-triol

Common Name: (ent)-Kaur-16-en-2-α,18,19-triol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H32O3/c1-13-7-19-6-5-17-18(2,16(19)4-3-14(13)8-19)9-15(23)10-20(17,11-21)12-22/h14-17,21-23H,1,3-12H2,2H3/t14-,15+,16+,17+,18+,19-/m1/s1

InChIKey: InChIKey=MLSYHUFQDGSRNM-YLXRRXKZSA-N

Formula: C20H32O3

Molecular Weight: 320.467037

Exact Mass: 320.235145

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) 49.6
2 (CH) 66.7
3 (CH2) 37.4
4 (C) 43.2
5 (CH) 47.9
6 (CH2) 21.9
7 (CH2) 41.5
8 (C) 44.8
9 (CH) 56.9
10 (C) 40.8
11 (CH2) 19.5
12 (CH2) 33.8
13 (CH) 44.7
14 (CH2) 40.2
15 (CH2) 49.6
16 (C) 156.3
17 (CH2) 104
18 (CH2) 66.8
19 (CH2) 70
20 (CH3) 23.5