(5S,8S,9R,10R)-7-Oxo-16,18-dihydroxyclerodane-3,13-diene-15,19-dioic acid 19,18:15,16-dilactone

(5S,8S,9R,10R)-7-Oxo-16,18-dihydroxyclerodane-3,13-diene-15,19-dioic acid 19,18:15,16-dilactone

Common Name: (5S,8S,9R,10R)-7-Oxo-16,18-dihydroxyclerodane-3,13-diene-15,19-dioic acid 19,18:15,16-dilactone

Synonyms: (5S,8S,9R,10R)-7-Oxo-16,18-dihydroxyclerodane-3,13-diene-15,19-dioic acid 19,18:15,16-dilactone

CAS Registry Number:

InChI: InChI=1S/C20H24O5/c1-12-15(21)9-20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)7-6-13-8-17(22)24-10-13/h4,8,12,16H,3,5-7,9-11H2,1-2H3/t12-,16-,19+,20-/m1/s1

InChIKey: InChIKey=AHZVXBSDOABEEU-WWIODWGFSA-N

Formula: C20H24O5

Molecular Weight: 344.402321

Exact Mass: 344.162374

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Akaike, S., Sumino, M., Sekine, T., Seo, S., Kimura, N., Ikegami, F. Chem Pharm Bull (2003) 51, 197-9

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) 20.2
2 (CH2) 27.3
3 (CH) 137
4 (C) 136
5 (C) 47.8
6 (CH2) 50.5
7 (C) 208.6
8 (CH) 51.3
9 (C) 43.4
10 (CH) 47.7
11 (CH2) 34.8
12 (CH2) 22.3
13 (C) 168.8
14 (CH) 115.6
15 (C) 173.4
16 (CH2) 72.9
17 (CH3) 7.8
18 (C) 167.7
19 (CH2) 71
20 (CH3) 18.8