13,16α,17-Trihydroxy-ent-9(11)-kauren-19-oic acid

13,16α,17-Trihydroxy-ent-9(11)-kauren-19-oic acid

Common Name: 13,16α,17-Trihydroxy-ent-9(11)-kauren-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O5/c1-16-6-3-7-17(2,15(22)23)13(16)4-8-18-10-19(24,9-5-14(16)18)20(25,11-18)12-21/h5,13,21,24-25H,3-4,6-12H2,1-2H3,(H,22,23)/t13-,16+,17+,18-,19-,20-/m0/s1

InChIKey: InChIKey=KSUJTHWJHKZHAD-PJKJDQBBSA-N

Formula: C20H30O5

Molecular Weight: 350.449965

Exact Mass: 350.209324

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Han, L., Huang, X., Sattler, I., Dahse, H.M., Fu, H., Lin, W., Grabley, S. J Nat Prod (2004) 67, 1620-3

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) 19.8
3 (CH2) 37.9
4 (C) 43.6
5 (CH) 45.5
6 (CH2) 17.5
7 (CH2) 29.9
8 (C) 39.5
9 (C) 156.4
10 (C) 38.1
11 (CH) 114.9
12 (CH2) 37.1
13 (C) 76.9
14 (CH2) 50.1
15 (CH2) 52.4
16 (C) 79.4
17 (CH2) 66.5
18 (CH3) 27.9
19 (C) 178.5
20 (CH3) 23.4