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)
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 |