6b-0-Acetyl-3b-hydroxyteucroxylepin

6b-0-Acetyl-3b-hydroxyteucroxylepin

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)

Carbon NMR Peaks

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