Common Name:
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O7/c1-7-20(5,26)16-17(27-12(3)23)22(18(25)28-16)11(2)8-9-19(4)14(22)10-13(24)15-21(19,6)29-15/h7,11,14-17,26H,1,8-10H2,2-6H3/t11-,14+,15-,16-,17+,19-,20-,21-,22-/m0/s1
InChIKey: InChIKey=OTXWUJYCAAJVRV-UTRJXNAUSA-N
Formula: C22H30O7
Molecular Weight: 406.470247
Exact Mass: 406.199153
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hashimoto, T., Nakamura, I., Tori, M., Takaoka, S., Asakawa, Y. Phytochemistry (1995) 38, 119-27
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) | 36 |
2 (C) | 204.6 |
3 (CH) | 62.7 |
4 (C) | 72.3 |
5 (C) | 37.8 |
6 (CH2) | 34.4 |
7 (CH2) | 27.4 |
8 (CH) | 34.9 |
9 (C) | 55.1 |
10 (CH) | 49 |
11 (CH) | 73.4 |
12 (CH) | 84.2 |
13 (C) | 73.1 |
14 (CH) | 137.8 |
15 (CH2) | 115.9 |
16 (CH3) | 25.8 |
17 (CH3) | 19 |
18 (CH3) | 20.7 |
19 (CH3) | 18.2 |
20 (C) | 173.8 |
11a (C) | 169.7 |
11b (CH3) | 20.7 |