ent-12β-Acetoxy-17-oxokaur-15-en-19-oic acid

ent-12β-Acetoxy-17-oxokaur-15-en-19-oic acid

Common Name: ent-12β-Acetoxy-17-oxokaur-15-en-19-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H32O5/c1-12(23)26-14-10-16-19(2)7-5-8-20(3,18(24)25)15(19)6-9-22(16)11-13(14)21(4)17(22)27-21/h13-17H,5-11H2,1-4H3,(H,24,25)/t13?,14-,15-,16-,17-,19+,20+,21-,22+/m0/s1

InChIKey: InChIKey=XGHLAKMDUUKKLI-KXXOVREPSA-N

Formula: C22H32O5

Molecular Weight: 376.487318

Exact Mass: 376.224974

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Gaspar-Marques, C., Simoes, M.F., Rodriguez, B. J Nat Prod (2004) 67, 614-21

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) 18.8
3 (CH2) 37.9
4 (C) 43.8
5 (CH) 56.4
6 (CH2) 20.5
7 (CH2) 35.4
8 (C) 42.6
9 (CH) 49.4
10 (C) 38
11 (CH2) 24.1
12 (CH) 69.7
13 (CH) 44.3
14 (CH2) 25.7
15 (CH) 67.6
16 (C) 59.7
17 (CH3) 14.9
18 (CH3) 28.7
19 (C) 177.8
20 (CH3) 13.9
12a (C) 170.3
12b (CH3) 21.4