20-O-Acetyl-[3-O-(2¥E, 4¥Z)-decadienoyl]-ingenol

20-O-Acetyl-[3-O-(2¥E, 4¥Z)-decadienoyl]-ingenol

Common Name: 20-O-Acetyl-[3-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)39-29-19(2)17-31-20(3)15-24-26(30(24,5)6)23(28(31)36)16-22(18-38-21(4)33)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=SYXKKJDQNXPUSI-IFEMBOOLSA-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) 132.2
2 (C) 136
3 (CH) 82.7
4 (C) 85
5 (CH) 74.6
6 (C) 136
7 (CH) 129.3
8 (CH) 43.6
9 (C) 206.2
10 (C) 72
11 (CH) 38.6
12 (CH2) 31.2
13 (CH) 23.3
14 (CH) 23.1
15 (C) 24
16 (CH3) 28.5
17 (CH3) 15.4
18 (CH3) 17.3
19 (CH3) 15.5
20 (CH2) 66.7
3a (C) 167.7
3b (CH) 120
3c (CH) 142.9
3d (CH) 126.2
3e (CH) 141.2
3f (CH2) 28.9
3g (CH2) 31.3
3h (CH2) 28.2
3i (CH2) 22.4
3j (CH3) 13.9
20a (C) 171
20b (CH3) 21