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/C20H30O4/c1-17-7-4-8-18(2,16(22)23)13(17)9-14(21)20-10-11(5-6-12(17)20)19(3)15(20)24-19/h11-15,21H,4-10H2,1-3H3,(H,22,23)/t11?,12-,13-,14+,15-,17-,18+,19-,20+/m0/s1

InChIKey: InChIKey=JRTJMHJAKRSTRL-BOXRCUSKSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: C5D5N

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) 40.9
2 (CH2) 19.8
3 (CH2) 38.5
4 (C) 43.8
5 (CH) 53.7
6 (CH2) 31.4
7 (CH) 75.1
8 (C) 49.7
9 (CH) 49
10 (C) 39.6
11 (CH2) 18.3
12 (CH2) 27.7
13 (CH) 39
14 (CH2) 24.9
15 (CH) 67
16 (C) 59.5
17 (CH3) 14.8
18 (CH3) 29.3
19 (C) 180
20 (CH3) 15.9