(5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-2-oxocleroda-3,13-diene-15-oic acid methyl ester

(5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-2-oxocleroda-3,13-diene-15-oic acid methyl ester

Common Name: (5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-2-oxocleroda-3,13-diene-15-oic acid methyl ester

Synonyms: (5alpha,8alpha,9R,10beta)-7alpha-Acetoxy-2-oxocleroda-3,13-diene-15-oic acid methyl ester

CAS Registry Number:

InChI: InChI=1S/C23H34O5/c1-14(10-21(26)27-7)8-9-22(5)16(3)19(28-17(4)24)13-23(6)15(2)11-18(25)12-20(22)23/h10-11,16,19-20H,8-9,12-13H2,1-7H3/b14-10+/t16-,19-,20-,22+,23+/m1/s1

InChIKey: InChIKey=GDQCRKMIILLWDW-XRXCJDGOSA-N

Formula: C23H34O5

Molecular Weight: 390.513936

Exact Mass: 390.240624

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Tori, M., Katto, A., Sono, M. Phytochemistry (1999) 52, 487-93

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) 34.7
2 (C) 199.4
3 (CH) 125.3
4 (C) 171.8
5 (C) 39
6 (CH2) 38.3
7 (CH) 74.3
8 (CH) 37.8
9 (C) 38.5
10 (CH) 45.5
11 (CH2) 36.4
12 (CH2) 34.2
13 (C) 159.7
14 (CH) 115.5
15 (C) 167.1
16 (CH3) 19.1
17 (CH3) 11.9
18 (CH3) 19.1
19 (CH3) 19
20 (CH3) 19.9
7a (C) 170.5
7b (CH3) 21.4
15a (CH3) 50.8