8,11,13-Cleistanthatrien-17,19-dioic acid dimethyl ester

8,11,13-Cleistanthatrien-17,19-dioic acid dimethyl ester

Common Name: 8,11,13-Cleistanthatrien-17,19-dioic acid dimethyl ester

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O4/c1-6-14-15-9-11-18-21(2,12-7-13-22(18,3)20(24)26-5)17(15)10-8-16(14)19(23)25-4/h8,10,18H,6-7,9,11-13H2,1-5H3/t18-,21-,22+/m1/s1

InChIKey: InChIKey=IQEUKXWABWRDNI-QIJUGHKUSA-N

Formula: C22H30O4

Molecular Weight: 358.472032

Exact Mass: 358.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Pinto, A.C., Antunes, O.A.C., Rezende, C.M., Correia, C.R.D. Phytochemistry (1995) 38, 1269-71

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cleistanthanes; 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) 39.1
2 (CH2) 20
3 (CH2) 37.4
4 (C) 43.9
5 (CH) 51.9
6 (CH2) 20.9
7 (CH2) 28.8
8 (C) 134.5
9 (C) 152.3
10 (C) 39.6
11 (CH) 123.3
12 (CH) 127.5
13 (C) 130.2
14 (C) 143.4
15 (CH2) 22.1
16 (CH3) 14.4
17 (C) 169
18 (CH3) 28.4
19 (C) 177.8
20 (CH3) 22.8
17a (CH3) 51.8
19a (CH3) 51.9