(5beta,8beta,9R,10alpha)-2beta-Hydroxy-15,16-epoxycleroda-3,13(16),14-triene-19-oic acid

(5beta,8beta,9R,10alpha)-2beta-Hydroxy-15,16-epoxycleroda-3,13(16),14-triene-19-oic acid

Common Name: (5beta,8beta,9R,10alpha)-2beta-Hydroxy-15,16-epoxycleroda-3,13(16),14-triene-19-oic acid

Synonyms: (5beta,8beta,9R,10alpha)-2beta-Hydroxy-15,16-epoxycleroda-3,13(16),14-triene-19-oic acid

CAS Registry Number:

InChI: InChI=1S/C20H28O4/c1-13-4-7-20(3)16(18(22)23)10-15(21)11-17(20)19(13,2)8-5-14-6-9-24-12-14/h6,9-10,12-13,15,17,21H,4-5,7-8,11H2,1-3H3,(H,22,23)/t13-,15+,17-,19+,20+/m0/s1

InChIKey: InChIKey=VVCXPQBVJROEEN-XQWQOATHSA-N

Formula: C20H28O4

Molecular Weight: 332.434679

Exact Mass: 332.198759

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Anis, I., Anis, F., Ahmed, S., Mustafa, G., Malik, A., Amtul, Z., Atta ur, R. Helv Chim Acta (2001) 84, 649-55

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) 29
2 (CH) 69.9
3 (CH) 133.5
4 (C) 140.2
5 (C) 39.1
6 (CH2) 37.2
7 (CH2) 28.3
8 (CH) 37.4
9 (C) 39.6
10 (CH) 46.5
11 (CH2) 36.8
12 (CH2) 19.2
13 (C) 126.8
14 (CH) 111.9
15 (CH) 143.9
16 (CH) 139.6
17 (CH3) 16.6
18 (CH3) 21.5
19 (C) 170
20 (CH3) 19.1