(5R,8R,9S,10R)-2beta-Acetoxycleroda-3,13-diene-15,19-dioic acid 19-methyl ester

(5R,8R,9S,10R)-2beta-Acetoxycleroda-3,13-diene-15,19-dioic acid 19-methyl ester

Common Name: (5R,8R,9S,10R)-2beta-Acetoxycleroda-3,13-diene-15,19-dioic acid 19-methyl ester

Synonyms: (5R,8R,9S,10R)-2beta-Acetoxycleroda-3,13-diene-15,19-dioic acid 19-methyl ester

CAS Registry Number:

InChI: InChI=1S/C23H34O6/c1-14(11-20(25)26)7-9-22(4)15(2)8-10-23(5)18(21(27)28-6)12-17(13-19(22)23)29-16(3)24/h11-12,15,17,19H,7-10,13H2,1-6H3,(H,25,26)/b14-11+/t15-,17-,19-,22+,23+/m1/s1

InChIKey: InChIKey=JYKSXPOWBJQKQL-OUNLYOCBSA-N

Formula: C23H34O6

Molecular Weight: 406.513341

Exact Mass: 406.235539

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tazaki, H., Hayashida, T., Furuki, T., Nabeta, K. Phytochemistry (1999) 52, 1551-3

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) 24.7
2 (CH) 67.5
3 (CH) 133.2
4 (C) 144
5 (C) 36.9
6 (CH2) 36.7
7 (CH2) 28.2
8 (CH) 37.2
9 (C) 39.8
10 (CH) 48.5
11 (CH2) 35.7
12 (CH2) 34.6
13 (C) 163.8
14 (CH) 114.9
15 (C) 171.3
16 (CH3) 19.4
17 (CH3) 19.2
18 (C) 168.2
19 (CH3) 34.2
20 (CH3) 15.9
2a (C) 170.8
2b (CH3) 21.2
18a (CH3) 51.7