Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-10-4-16(27-11(2)23)22-14(7-13(28-19(22)25)8-21(22)9-26-21)20(10,3)15-5-12-6-17(24)30-18(12)29-15/h10,12-16,18H,4-9H2,1-3H3/t10-,12+,13-,14-,15+,16+,18-,20+,21+,22+/m1/s1
InChIKey: InChIKey=IKHIELODEHLXIQ-MIDXXKLPSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Malakov, P.Y., Papanov, G.Y., Boneva, I.M. Phytochemistry (1996) 41, 855-7
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) | 29.1 |
2 (CH) | 67.1 |
3 (CH2) | 36.3 |
4 (C) | 61.6 |
5 (C) | 46.9 |
6 (CH) | 72.4 |
7 (CH2) | 32.9 |
8 (CH) | 36.1 |
9 (C) | 41.6 |
10 (CH) | 37.5 |
11 (CH) | 84.9 |
12 (CH2) | 32.3 |
13 (CH) | 41.4 |
14 (CH2) | 35.1 |
15 (C) | 174.9 |
16 (CH) | 106.9 |
17 (CH3) | 16.4 |
18 (CH2) | 50.1 |
19 (C) | 170 |
20 (CH3) | 12 |
6a (C) | 170.9 |
6b (CH3) | 21.3 |