Common Name: 15,18-Diacetoxy-3-ene-cis-clerodane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H40O4/c1-17(12-15-27-19(3)25)10-13-23(5)18(2)11-14-24(6)21(16-28-20(4)26)8-7-9-22(23)24/h8,17-18,22H,7,9-16H2,1-6H3/t17?,18-,22-,23+,24-/m1/s1
InChIKey: InChIKey=WQGGVDOTGXKLGW-GESAGZSSSA-N
Formula: C24H40O4
Molecular Weight: 392.572911
Exact Mass: 392.29266
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kalpoutzakis, E., Aligiannis, N., Skaltsounis, A.L., Mitakou, S. J Nat Prod (2003) 66, 316-9
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)
Position | PPM |
---|---|
1 (CH2) | 17.2 |
2 (CH2) | 23.9 |
3 (CH) | 129.2 |
4 (C) | 138.3 |
5 (C) | 36.2 |
6 (CH2) | 37.2 |
7 (CH2) | 28.7 |
8 (CH) | 37.2 |
9 (C) | 39.9 |
10 (CH) | 44.9 |
11 (CH2) | 35 |
12 (CH2) | 29.4 |
13 (CH) | 30.6 |
14 (CH2) | 35 |
15 (CH2) | 63.1 |
16 (CH3) | 19.6 |
17 (CH3) | 17.4 |
18 (CH2) | 66.6 |
19 (CH3) | 34.6 |
20 (CH3) | 15.9 |
15a (C) | 173.2 |
15b (CH3) | 21 |
18a (C) | 170.9 |
18b (CH3) | 21.2 |