3β,12(S)-Dihydroxycleroda-4(18),13-dien-15,16-olide

3β,12(S)-Dihydroxycleroda-4(18),13-dien-15,16-olide

Common Name: 3β,12(S)-Dihydroxycleroda-4(18),13-dien-15,16-olide

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H30O4/c1-12-7-8-19(3)13(2)15(21)5-6-17(19)20(12,4)10-16(22)14-9-18(23)24-11-14/h9,12,15-17,21-22H,2,5-8,10-11H2,1,3-4H3/t12-,15+,16+,17+,19+,20+/m1/s1

InChIKey: InChIKey=LOVGAILAPVOSFV-CDARYLGQSA-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) 21.16
2 (CH2) 37.31
3 (CH) 69.7
4 (C) 162
5 (C) 40.2
6 (CH2) 37.3
7 (CH2) 27.2
8 (CH) 37.4
9 (C) 40.4
10 (CH) 49.2
11 (CH2) 44.1
12 (CH) 65.2
13 (C) 174.3
14 (CH) 114.2
15 (C) 173.6
16 (CH2) 70.9
17 (CH3) 16
18 (CH2) 99.6
19 (CH3) 21.24
20 (CH3) 17.6