(-)-Cis-cleroda-1,3,13-trien-15-hydroxy-16,18-dioicacid-16,15-olide

(-)-Cis-cleroda-1,3,13-trien-15-hydroxy-16,18-dioicacid-16,15-olide

Common Name: (-)-Cis-cleroda-1,3,13-trien-15-hydroxy-16,18-dioicacid-16,15-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O5/c1-12-7-9-20(3)14(17(22)23)5-4-6-15(20)19(12,2)10-8-13-11-16(21)25-18(13)24/h4-6,11-12,15-16,21H,7-10H2,1-3H3,(H,22,23)/t12-,15-,16?,19+,20-/m0/s1

InChIKey: InChIKey=PIYCAFHLSHGPIM-VKRRKMKJSA-N

Formula: C20H26O5

Molecular Weight: 346.418202

Exact Mass: 346.178024

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) 133.9
2 (CH) 125.2
3 (CH) 135.7
4 (C) 135.6
5 (C) 40.9
6 (CH2) 34.7
7 (CH2) 28.8
8 (CH) 36.3
9 (C) 37
10 (CH) 48.3
11 (CH2) 34.4
12 (CH2) 19.2
13 (C) 139
14 (CH) 142.6
15 (CH) 96.5
16 (C) 171.3
17 (CH3) 15.8
18 (C) 171.7
19 (CH3) 29.6
20 (CH3) 16