(5alpha,8alpha,9R,10beta,13S)-2,7-Dioxocleroda-3-ene-15-oic acid

(5alpha,8alpha,9R,10beta,13S)-2,7-Dioxocleroda-3-ene-15-oic acid

Common Name: (5alpha,8alpha,9R,10beta,13S)-2,7-Dioxocleroda-3-ene-15-oic acid

Synonyms: (5alpha,8alpha,9R,10beta,13S)-2,7-Dioxocleroda-3-ene-15-oic acid

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-12(8-18(23)24)6-7-19(4)14(3)16(22)11-20(5)13(2)9-15(21)10-17(19)20/h9,12,14,17H,6-8,10-11H2,1-5H3,(H,23,24)/t12-,14+,17+,19-,20-/m0/s1

InChIKey: InChIKey=WCWSAYZIPUPYKD-SVMSGLSLSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Mambu, L., Grellier, P., Florent, L., Joyeau, R., Ramanitrahasimbola, D., Rasoanaivo, P., Frappier, F. Phytochemistry (2006) 67, 444-51

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) 35
2 (C) 198.9
3 (CH) 126
4 (C) 169.5
5 (C) 44.3
6 (CH2) 51.2
7 (C) 211.3
8 (CH) 50.1
9 (C) 44.3
10 (CH) 45.7
11 (CH2) 35.3
12 (CH2) 29.2
13 (CH) 30.5
14 (CH2) 40.8
15 (C) 176
16 (CH3) 19.9
17 (CH3) 7.7
18 (CH3) 18.8
19 (CH3) 19.4
20 (CH3) 19.1