12-O-[3-Methyl-2-butenoyl]-4-deoxyphorbol 13-acetate

12-O-[3-Methyl-2-butenoyl]-4-deoxyphorbol 13-acetate

Common Name: 12-O-[3-Methyl-2-butenoyl]-4-deoxyphorbol 13-acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C27H36O7/c1-13(2)8-21(30)33-24-15(4)26(32)19-9-14(3)22(31)18(19)10-17(12-28)11-20(26)23-25(6,7)27(23,24)34-16(5)29/h8-9,11,15,18-20,23-24,28,32H,10,12H2,1-7H3/t15-,18-,19-,20+,23-,24-,26+,27-/m1/s1

InChIKey: InChIKey=HANHFLHKGWUFQU-CSCLOYBCSA-N

Formula: C27H36O7

Molecular Weight: 472.571571

Exact Mass: 472.246104

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Rios, M.Y., Aguilar-Guadarrama, A.B. J Nat Prod (2006) 69, 887-90

Species:

Notes: Family : Terpenoids, Type : Diterpenoids, Group : Tiglianes; 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) 156.5
2 (C) 143.5
3 (C) 213.5
4 (CH) 49.8
5 (CH2) 25.3
6 (C) 137.2
7 (CH) 126.8
8 (CH) 40.8
9 (C) 78.3
10 (CH) 47.6
11 (CH) 43.5
12 (CH) 74.4
13 (C) 65.5
14 (CH) 37.1
15 (C) 25.3
16 (CH3) 16.5
17 (CH3) 24.4
18 (CH3) 12
19 (CH3) 10.7
20 (CH2) 69.5
12a (C) 166.4
12b (CH) 115.9
12c (C) 158.1
12d (CH3) 20.6
12ca (CH3) 27.7
13a (C) 173.8
13b (CH3) 21.3