rel-(3R,4S,5S,6R,7S,8S,9R,10S,12R,20S)-6,7-diacetoxy-3,4,15,16,12,20-triepoxy-20-hydroxyneocleroda-13(16),14-diene

rel-(3R,4S,5S,6R,7S,8S,9R,10S,12R,20S)-6,7-diacetoxy-3,4,15,16,12,20-triepoxy-20-hydroxyneocleroda-13(16),14-diene

Common Name: rel-(3R,4S,5S,6R,7S,8S,9R,10S,12R,20S)-6,7-diacetoxy-3,4,15,16,12,20-triepoxy-20-hydroxyneocleroda-13(16),14-diene

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C24H32O8/c1-12-19(29-13(2)25)20(30-14(3)26)22(4)17(6-7-18-23(22,5)32-18)24(12)10-16(31-21(24)27)15-8-9-28-11-15/h8-9,11-12,16-21,27H,6-7,10H2,1-5H3/t12-,16-,17+,18-,19+,20+,21+,22+,23-,24-/m1/s1

InChIKey: InChIKey=UIEULHLNJMJHQZ-BVCMDOFXSA-N

Formula: C24H32O8

Molecular Weight: 448.507005

Exact Mass: 448.209718

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) 18.6
2 (CH2) 29.2
3 (CH) 63.6
4 (C) 64.6
5 (C) 42.1
6 (CH) 75.2
7 (CH) 74.2
8 (CH) 44.4
9 (C) 54.6
10 (CH) 50.5
11 (CH2) 43.4
12 (CH) 72.3
13 (C) 129.9
14 (CH) 109.6
15 (CH) 143.8
16 (CH) 139.7
17 (CH3) 14.3
18 (CH3) 13.4
19 (CH3) 22
20 (CH) 100.4
6a (C) 170.5
6b (CH3) 21.2
7a (C) 170.7
7b (CH3) 21.6