20-O-Acetyl-[5-O-(2¥E, 4¥Z)-decadienoyl]-ingenol

20-O-Acetyl-[5-O-(2¥E, 4¥Z)-decadienoyl]-ingenol

Common Name: 20-O-Acetyl-[5-O-(2¥E, 4¥Z)-decadienoyl]-ingenol

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C32H44O7/c1-7-8-9-10-11-12-13-14-25(34)39-29-22(18-38-21(4)33)16-23-26-24(30(26,5)6)15-20(3)31(28(23)36)17-19(2)27(35)32(29,31)37/h11-14,16-17,20,23-24,26-27,29,35,37H,7-10,15,18H2,1-6H3/b12-11-,14-13+/t20-,23+,24-,26+,27+,29-,31+,32-/m1/s1

InChIKey: InChIKey=JKTMSYUQFQWQFC-HQDWXLFTSA-N

Formula: C32H44O7

Molecular Weight: 540.688776

Exact Mass: 540.308704

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Shi, J.X., Li, Z.X., Nitoda, T., Izumi, M., Kanzaki, H., Baba, N., Kawazu, K., Nakajima, S. Biosci Biotechnol Biochem (2007) 71, 1086-9

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Ingenanes; 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 (CH) 128.8
2 (C) 139.6
3 (CH) 79.3
4 (C) 85.4
5 (CH) 74.9
6 (C) 133.7
7 (CH) 131.9
8 (CH) 44.2
9 (C) 206.5
10 (C) 73.7
11 (CH) 38.7
12 (CH2) 31.5
13 (CH) 23.8
14 (CH) 23.1
15 (C) 23.7
16 (CH3) 28.5
17 (CH3) 15.1
18 (CH3) 18.1
19 (CH3) 15.6
20 (CH2) 66.6
5a (C) 166.7
5b (CH) 119.4
5c (CH) 143.4
5d (CH) 126.2
5e (CH) 141.7
5f (CH2) 28.4
5g (CH2) 31.4
5h (CH2) 28.9
5i (CH2) 22.5
5j (CH3) 14
20a (C) 170.7
20b (CH3) 20.8