Common Name: rel-(3R,4S,5S,6R,7S,8S,9R,10S,12R,20S)-6,7-diacetoxy-3,4,15,16,12,20-triepoxy-20-hydroxyneocleroda-13(16),14-diene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H32O8/c1-12-19(29-13(2)25)20(30-14(3)26)22(4)17(6-7-18-23(22,5)32-18)24(12)10-16(31-21(24)27)15-8-9-28-11-15/h8-9,11-12,16-21,27H,6-7,10H2,1-5H3/t12-,16-,17+,18-,19+,20+,21+,22+,23-,24-/m1/s1
InChIKey: InChIKey=UIEULHLNJMJHQZ-BVCMDOFXSA-N
Formula: C24H32O8
Molecular Weight: 448.507005
Exact Mass: 448.209718
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) | 18.6 |
2 (CH2) | 29.2 |
3 (CH) | 63.6 |
4 (C) | 64.6 |
5 (C) | 42.1 |
6 (CH) | 75.2 |
7 (CH) | 74.2 |
8 (CH) | 44.4 |
9 (C) | 54.6 |
10 (CH) | 50.5 |
11 (CH2) | 43.4 |
12 (CH) | 72.3 |
13 (C) | 129.9 |
14 (CH) | 109.6 |
15 (CH) | 143.8 |
16 (CH) | 139.7 |
17 (CH3) | 14.3 |
18 (CH3) | 13.4 |
19 (CH3) | 22 |
20 (CH) | 100.4 |
6a (C) | 170.5 |
6b (CH3) | 21.2 |
7a (C) | 170.7 |
7b (CH3) | 21.6 |