ent-15b-Angeloyloxy-7a,9a-dihydroxy-kaur-16-en-19-oic acid

ent-15b-Angeloyloxy-7a,9a-dihydroxy-kaur-16-en-19-oic acid

Common Name: ent-15b-Angeloyloxy-7a,9a-dihydroxy-kaur-16-en-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C25H36O6/c1-6-14(2)20(27)31-19-15(3)16-8-11-25(30)23(5)10-7-9-22(4,21(28)29)17(23)12-18(26)24(19,25)13-16/h6,16-19,26,30H,3,7-13H2,1-2,4-5H3,(H,28,29)/b14-6-/t16-,17-,18+,19+,22-,23-,24-,25-/m1/s1

InChIKey: InChIKey=YOTJIOFPPBIQPT-DCYNMUGFSA-N

Formula: C25H36O6

Molecular Weight: 432.550694

Exact Mass: 432.251189

NMR Solvent: CDCl3

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) 31.86
2 (CH2) 18.88
3 (CH2) 37.36
4 (C) 43.52
5 (CH) 42.14
6 (CH2) 28.36
7 (CH) 72.45
8 (C) 55.25
9 (C) 78.29
10 (C) 44.59
11 (CH2) 28.25
12 (CH2) 33.32
13 (CH) 40.88
14 (CH2) 35.93
15 (CH) 78.42
16 (C) 154.31
17 (CH2) 111.15
18 (CH3) 28.89
19 (C) 184.21
20 (CH3) 17.68
15a (C) 168.61
15b (C) 127.93
15c (CH) 138.55
15d (CH3) 15.82
15ba (CH3) 20.59