6beta,15-Dihydroxycleroda-3,13-diene-16,19-dioic acid 16,15-lactone

6beta,15-Dihydroxycleroda-3,13-diene-16,19-dioic acid 16,15-lactone

Common Name: 6beta,15-Dihydroxycleroda-3,13-diene-16,19-dioic acid 16,15-lactone

Synonyms: 6beta,15-Dihydroxycleroda-3,13-diene-16,19-dioic acid 16,15-lactone

CAS Registry Number:

InChI: InChI=1S/C20H28O5/c1-12-11-16(21)20(3)14(17(22)23)5-4-6-15(20)19(12,2)9-7-13-8-10-25-18(13)24/h5,8,12,15-16,21H,4,6-7,9-11H2,1-3H3,(H,22,23)/t12-,15-,16+,19+,20+/m0/s1

InChIKey: InChIKey=VIZZFMPBFLWOFS-JUNANHINSA-N

Formula: C20H28O5

Molecular Weight: 348.434084

Exact Mass: 348.193674

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Iqbal, K., Malik, A., Mukhtar, N., Anis, I., Khan, S.N., Choudhary, M.I. Chem Pharm Bull (2004) 52, 785-9

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) 17.2
2 (CH2) 27.3
3 (CH) 142.7
4 (C) 140.8
5 (C) 44.7
6 (CH) 74.4
7 (CH2) 35.7
8 (CH) 33.9
9 (C) 38.9
10 (CH) 45.6
11 (CH2) 36.1
12 (CH2) 18.8
13 (C) 134.9
14 (CH) 143.9
15 (CH2) 70.2
16 (C) 174.3
17 (CH3) 15.6
18 (CH3) 16.6
19 (C) 173.7
20 (CH3) 17.4