Ent-16b,17-dihidroxy-(-)-kauran-19-oic acid

Ent-16b,17-dihidroxy-(-)-kauran-19-oic acid

Common Name: Ent-16b,17-dihidroxy-(-)-kauran-19-oic acid

Synonyms:

CAS Registry Number:

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

InChIKey: InChIKey=MRBLTWPEPGRXQN-INIPNLRTSA-N

Formula: C20H32O4

Molecular Weight: 336.466442

Exact Mass: 336.23006

NMR Solvent: C5D5N

MHz:

Calibration:

NMR references: 13C - Kim, Y.H., Chung, B.S., Sankawa, U. J Nat Prod (1988) 51, 1080-3

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) 40.96
2 (CH2) 16.96
3 (CH2) 38.62
4 (C) 43.77
5 (CH) 56.96
6 (CH2) 22.8
7 (CH2) 42.66
8 (C) 44.83
9 (CH) 56.2
10 (C) 40
11 (CH2) 18.9
12 (CH2) 26.66
13 (CH) 45.76
14 (CH2) 37.62
15 (CH2) 53.74
16 (C) 81.34
17 (CH2) 66.16
18 (CH3) 29.24
19 (C) 179.49
20 (CH3) 15.94