12-oxo-15,13(16), 14-clerodatrien-17,18-dioc acid dimethylester

12-oxo-15,13(16), 14-clerodatrien-17,18-dioc acid dimethylester

Common Name: 12-oxo-15,13(16), 14-clerodatrien-17,18-dioc acid dimethylester

Synonyms: 12-oxo-15,13(16), 14-clerodatrien-17,18-dioc acid dimethylester

CAS Registry Number:

InChI: InChI=1S/C22H28O6/c1-21-10-8-16(20(25)27-4)22(2,12-17(23)14-9-11-28-13-14)18(21)7-5-6-15(21)19(24)26-3/h6,9,11,13,16,18H,5,7-8,10,12H2,1-4H3/t16-,18-,21-,22-/m0/s1

InChIKey: InChIKey=HBGWSTTXPKJCAH-DBXVSBKESA-N

Formula: C22H28O6

Molecular Weight: 388.45496

Exact Mass: 388.188589

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Youngsa-ad, W., Ngamrojanavanich, N., Mahidol, C., Ruchirawat, S., Prawat, H., Kittakoop, P. Planta Med (2007) 73, 1491-4

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) 18.3
2 (CH2) 26.8
3 (CH) 137.6
4 (C) 141.1
5 (C) 37.4
6 (CH2) 34.2
7 (CH2) 21.5
8 (CH) 49
9 (C) 40.2
10 (CH) 46.1
11 (CH2) 47.6
12 (C) 194.2
13 (C) 129.2
14 (CH) 108.7
15 (CH) 144.1
16 (CH) 147.1
17 (C) 175
18 (C) 167.4
19 (CH3) 20.6
20 (CH3) 19.4
17a (CH3) 51.1
18a (CH3) 51.1