ent-15b-Tigloyloxy-9a-hydroxy-kaur-16-en-19-oic acid

ent-15b-Tigloyloxy-9a-hydroxy-kaur-16-en-19-oic acid

Common Name: ent-15b-Tigloyloxy-9a-hydroxy-kaur-16-en-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O5/c1-6-15(2)20(26)30-19-16(3)17-8-13-25(29)23(5)11-7-10-22(4,21(27)28)18(23)9-12-24(19,25)14-17/h6,17-19,29H,3,7-14H2,1-2,4-5H3,(H,27,28)/b15-6+/t17-,18-,19+,22-,23-,24+,25-/m1/s1

InChIKey: InChIKey=CSECYHNWAWCJBQ-HUMFMXAESA-N

Formula: C25H36O5

Molecular Weight: 416.551289

Exact Mass: 416.256274

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Muller, S., Tirapelli, C.R., de Oliveira, A.M., Murillo, R., Castro, V., Merfort, I. Phytochemistry (2003) 63, 391-6

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) 33.4
2 (CH2) 20.27
3 (CH2) 38.91
4 (C) 44.83
5 (CH) 50.62
6 (CH2) 22.19
7 (CH2) 38.91
8 (C) 54.37
9 (C) 77.74
10 (C) 45.69
11 (CH2) 29.56
12 (CH2) 31.21
13 (CH) 42.68
14 (CH2) 34.99
15 (CH) 80.87
16 (C) 157.45
17 (CH2) 110.45
18 (CH3) 29.62
19 (C) 182.09
20 (CH3) 18.16
15a (C) 169.43
15b (C) 130.24
15c (CH) 138.19
15d (CH3) 14.35
15ba (CH3) 12.26