12(S),16ξ-Dihydroxycleroda-3,13-dien-15,16-olide

12(S),16ξ-Dihydroxycleroda-3,13-dien-15,16-olide

Common Name: 12(S),16ξ-Dihydroxycleroda-3,13-dien-15,16-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-12-6-5-7-16-19(12,3)9-8-13(2)20(16,4)11-15(21)14-10-17(22)24-18(14)23/h6,10,13,15-16,18,21,23H,5,7-9,11H2,1-4H3/t13-,15+,16+,18?,19+,20+/m1/s1

InChIKey: InChIKey=BNWXVJHFKNLQQH-NLUHLKNCSA-N

Formula: C20H30O4

Molecular Weight: 334.45056

Exact Mass: 334.214409

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Jones, W.P., Lobo-Echeverri, T., Mi, Q., Chai, H.B., Soejarto, D.D., Cordell, G.A., Swanson, S.M., Kinghorn, A.D. J Nat Prod (2007) 70, 372-7

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) 19.2
2 (CH2) 26.6
3 (CH) 120.8
4 (C) 144.2
5 (C) 38.3
6 (CH2) 36.5
7 (CH2) 27.5
8 (CH) 36.9
9 (C) 39.8
10 (CH) 47.1
11 (CH2) 43
12 (CH) 64.6
13 (C) 174.3
14 (CH) 116.8
15 (C) 172
16 (CH) 98.4
17 (CH3) 16.1
18 (CH3) 18.1
19 (CH3) 20.1
20 (CH3) 17.6