(5R*,7S*,8S*,9S*,10R*)-7a-Acetoxycleroda-3,13-dien-15,16-olide-18-oic acid

(5R*,7S*,8S*,9S*,10R*)-7a-Acetoxycleroda-3,13-dien-15,16-olide-18-oic acid

Common Name: (5R*,7S*,8S*,9S*,10R*)-7a-Acetoxycleroda-3,13-dien-15,16-olide-18-oic acid

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O6/c1-13-17(28-14(2)23)12-22(4)16(19(24)25)6-5-7-18(22)21(13,3)10-8-15-9-11-27-20(15)26/h6,9,13,17-18H,5,7-8,10-12H2,1-4H3,(H,24,25)/t13-,17+,18-,21+,22+/m1/s1

InChIKey: InChIKey=CGHWOLXZDIQTSS-TUWWXKOBSA-N

Formula: C22H30O6

Molecular Weight: 390.470842

Exact Mass: 390.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Sigstad, E.E., Cuenca, M.D., Catalan, C.A.N., Gedris, T.E., Herz, W. Phytochemistry (1999) 50, 835-8

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) 17.6
2 (CH2) 27.3
3 (CH) 140.8
4 (C) 140
5 (C) 39.8
6 (CH2) 41.3
7 (CH) 72.6
8 (CH) 41.4
9 (C) 38.2
10 (CH) 46.4
11 (CH2) 36.3
12 (CH2) 17.6
13 (C) 134.6
14 (CH) 143.6
15 (CH2) 70.1
16 (C) 174.1
17 (CH3) 10.9
18 (C) 169.5
19 (CH3) 21.6
20 (CH3) 19.2
7a (C) 170.5
7b (CH3) 21.2