(-)-cis-Cleroda-3,13-dien-12,15-dihydroxy-16,17,18-trioic acid-16,15:18,6a-diolide

(-)-cis-Cleroda-3,13-dien-12,15-dihydroxy-16,17,18-trioic acid-16,15:18,6a-diolide

Common Name: (-)-cis-Cleroda-3,13-dien-12,15-dihydroxy-16,17,18-trioic acid-16,15:18,6a-diolide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H24O8/c1-19(8-12(21)9-6-15(22)28-17(9)25)11(16(23)24)7-14-20(2)10(18(26)27-14)4-3-5-13(19)20/h4,6,11-15,21-22H,3,5,7-8H2,1-2H3,(H,23,24)/t11-,12?,13+,14-,15?,19-,20+/m1/s1

InChIKey: InChIKey=DKTLNCFKLVNICZ-HDRQIITOSA-N

Formula: C20H24O8

Molecular Weight: 392.400535

Exact Mass: 392.147118

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 (CH2) 16.9
2 (CH2) 23.7
3 (CH) 136.8
4 (C) 132.4
5 (C) 38.6
6 (CH) 84.2
7 (CH2) 26.7
8 (CH) 45.7
9 (C) 36.2
10 (CH) 46.4
11 (CH2) 41.5
12 (CH) 71.7
13 (C) 146.1
14 (CH) 146
15 (CH) 97.6
16 (C) 169.1
17 (C) 170.3
18 (C) 169.5
19 (CH3) 29.9
20 (CH3) 14.8