Common Name: 6b-0-Acetyl-3b-hydroxyteucroxylepin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-12-7-19(29-13(2)23)21-9-18(26)20(12,8-15(24)14-5-6-27-10-14)16(21)3-4-17(25)22(21)11-28-22/h5-6,10,12,15-17,19,24-25H,3-4,7-9,11H2,1-2H3/t12-,15-,16-,17+,19-,20-,21+,22-/m1/s1
InChIKey: InChIKey=XREILRJITSWEMJ-UCOOMOQASA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Sattar, E.A., Mossa, J.S., Muhammad, I., Elferaly, F.S. Phytochemistry (1995) 40, 1737-41
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) | 23.3 |
2 (CH2) | 30.9 |
3 (CH) | 67.4 |
4 (C) | 62.2 |
5 (C) | 40.4 |
6 (CH) | 70.3 |
7 (CH2) | 32.7 |
8 (CH) | 30.5 |
9 (C) | 49.4 |
10 (CH) | 38.6 |
11 (CH2) | 36.3 |
12 (CH) | 63.3 |
13 (C) | 130.1 |
14 (CH) | 108.3 |
15 (CH) | 143.8 |
16 (CH) | 138.5 |
17 (CH3) | 16.1 |
18 (CH2) | 48.4 |
19 (CH2) | 70.9 |
20 (C) | 171.7 |
6a (C) | 169.8 |
6b (CH3) | 21.5 |