rel-(3R,4S,5R,7R,8S,9R,10S,12R,20S)-7-acetoxy-3,4,15,16,12,20-triepoxy-20-hydroxyneocleroda-13(16),14-diene

rel-(3R,4S,5R,7R,8S,9R,10S,12R,20S)-7-acetoxy-3,4,15,16,12,20-triepoxy-20-hydroxyneocleroda-13(16),14-diene

Common Name: rel-(3R,4S,5R,7R,8S,9R,10S,12R,20S)-7-acetoxy-3,4,15,16,12,20-triepoxy-20-hydroxyneocleroda-13(16),14-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H30O6/c1-12-15(26-13(2)23)9-20(3)17(5-6-18-21(20,4)28-18)22(12)10-16(27-19(22)24)14-7-8-25-11-14/h7-8,11-12,15-19,24H,5-6,9-10H2,1-4H3/t12-,15-,16-,17+,18-,19+,20-,21-,22-/m1/s1

InChIKey: InChIKey=UFRAGMCRABEBKP-YRNOAYDYSA-N

Formula: C22H30O6

Molecular Weight: 390.470842

Exact Mass: 390.204239

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Vigor, C., Fabre, N., Fouraste, I., Moulis, C. J Nat Prod (2002) 65, 1180-2

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) 19
2 (CH2) 29.4
3 (CH) 62.8
4 (C) 65.3
5 (C) 37.1
6 (CH2) 41.2
7 (CH) 74.1
8 (CH) 46.1
9 (C) 55
10 (CH) 51.3
11 (CH2) 43.3
12 (CH) 72.2
13 (C) 129.9
14 (CH) 109.7
15 (CH) 143.6
16 (CH) 139.7
17 (CH3) 14.7
18 (CH3) 20.3
19 (CH3) 18
20 (CH) 100.6
7a (C) 170.9
7b (CH3) 21.5