Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O10/c1-11-17(30-13(3)24)18(27)22(10-28-12(2)23)15(6-5-7-20(22)9-29-20)21(11)8-16(26)32-19(21)31-14(4)25/h11,15,17,19H,5-10H2,1-4H3/t11-,15-,17+,19-,20+,21-,22+/m1/s1
InChIKey: InChIKey=VNZLRLMNSPSPQA-UXIQYZIYSA-N
Formula: C22H28O10
Molecular Weight: 452.45258
Exact Mass: 452.168247
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Rodriguez, B., Delatorre, M.C., Simmonds, M.S.J., Blaney, W.M., Boneva, I.M. Phytochemistry (1994) 37, 147-57
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) | 22.6 |
2 (CH2) | 25.3 |
3 (CH2) | 30.4 |
4 (C) | 60.7 |
5 (C) | 48.9 |
6 (C) | 198.3 |
7 (CH) | 75.7 |
8 (CH) | 39.7 |
9 (C) | 54 |
10 (CH) | 50.5 |
11 (CH2) | 45.7 |
12 (C) | 173.9 |
17 (CH3) | 11.7 |
18 (CH2) | 49.9 |
19 (CH2) | 62.5 |
20 (CH) | 96.4 |
7a (C) | 170.2 |
7b (CH3) | 21.1 |
19a (C) | 169.9 |
19b (CH3) | 20.8 |
20a (C) | 168.2 |
20b (CH3) | 20.5 |