(-)-cis-Cleroda-1,3,13-trien-15,18-dioic acid-15,16-olide

(-)-cis-Cleroda-1,3,13-trien-15,18-dioic acid-15,16-olide

Common Name: (-)-cis-Cleroda-1,3,13-trien-15,18-dioic acid-15,16-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O4/c1-13-7-9-20(3)15(18(22)23)5-4-6-16(20)19(13,2)10-8-14-11-17(21)24-12-14/h4-6,11,13,16H,7-10,12H2,1-3H3,(H,22,23)/t13-,16-,19+,20-/m0/s1

InChIKey: InChIKey=XVTYNOXQGXBEAH-NCJOTSGUSA-N

Formula: C20H26O4

Molecular Weight: 330.418797

Exact Mass: 330.183109

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Geis, W., Buschauer, B., Becker, H. Phytochemistry (1999) 51, 643-9

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 (CH) 131.8
2 (CH) 125.4
3 (CH) 133.4
4 (C) 136.8
5 (C) 40.6
6 (CH2) 34.5
7 (CH2) 28.4
8 (CH) 36.1
9 (C) 36.8
10 (CH) 48
11 (CH2) 33.9
12 (CH2) 22.3
13 (C) 169.7
14 (CH) 114.8
15 (C) 174.5
16 (CH2) 73.2
17 (CH3) 15.7
18 (C) 171.3
19 (CH3) 29.4
20 (CH3) 15.8