rel-(3R,4S,5R,7R,8S,9R,10S,12R,20R)-7,20-diacetoxy-3,4,15,16,12,20-triepoxyneocleroda-13(16),14-diene

rel-(3R,4S,5R,7R,8S,9R,10S,12R,20R)-7,20-diacetoxy-3,4,15,16,12,20-triepoxyneocleroda-13(16),14-diene

Common Name: rel-(3R,4S,5R,7R,8S,9R,10S,12R,20R)-7,20-diacetoxy-3,4,15,16,12,20-triepoxyneocleroda-13(16),14-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H32O7/c1-13-17(28-14(2)25)10-22(4)19(6-7-20-23(22,5)31-20)24(13)11-18(16-8-9-27-12-16)30-21(24)29-15(3)26/h8-9,12-13,17-21H,6-7,10-11H2,1-5H3/t13-,17-,18-,19+,20-,21+,22-,23-,24-/m1/s1

InChIKey: InChIKey=VUPLMTRSSLQGTH-JXHNDXCSSA-N

Formula: C24H32O7

Molecular Weight: 432.5076

Exact Mass: 432.214803

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Vigor, C., Fabre, N., Fouraste, I., Moulis, C. J Nat Prod (2002) 65, 1180-2

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) 18.9
2 (CH2) 29.4
3 (CH) 62.4
4 (C) 65
5 (C) 37
6 (CH2) 41
7 (CH) 74.5
8 (CH) 46.3
9 (C) 54.2
10 (CH) 51.2
11 (CH2) 42.6
12 (CH) 73.1
13 (C) 129.2
14 (CH) 109
15 (CH) 143.5
16 (CH) 139.3
17 (CH3) 14.7
18 (CH3) 20.3
19 (CH3) 17.4
20 (CH) 99.1
7a (C) 169.9
7b (CH3) 21.9
20a (C) 170.7
20b (CH3) 21.5