Methyl ent-12β-acetoxy-7β-hydroxykaur-15-en-19-oate

Methyl ent-12β-acetoxy-7β-hydroxykaur-15-en-19-oate

Common Name: Methyl ent-12β-acetoxy-7β-hydroxykaur-15-en-19-oate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C23H34O5/c1-13-15-12-23(19(13)25)10-7-17-21(3,18(23)11-16(15)28-14(2)24)8-6-9-22(17,4)20(26)27-5/h15-19,25H,1,6-12H2,2-5H3/t15?,16-,17-,18-,19-,21+,22+,23+/m0/s1

InChIKey: InChIKey=QGHOZMNYEZNJJA-PGBKSRMBSA-N

Formula: C23H34O5

Molecular Weight: 390.513936

Exact Mass: 390.240624

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) 18.9
3 (CH2) 37.8
4 (C) 43.8
5 (CH) 56.7
6 (CH2) 20.8
7 (CH2) 34.9
8 (C) 46.7
9 (CH) 53.4
10 (C) 38.4
11 (CH2) 23
12 (CH) 73.3
13 (CH) 46.1
14 (CH2) 30.1
15 (CH) 83
16 (C) 155.5
17 (CH2) 111.7
18 (CH3) 28.8
19 (C) 178
20 (CH3) 13.9
12a (C) 170.4
12b (CH3) 21.5
19a (CH3) 51.2