12-O-[(2S)-N,N-Dimethyl-3-methylbutanoyl]-4-deoxyphorbol 13-acetate

12-O-[(2S)-N,N-Dimethyl-3-methylbutanoyl]-4-deoxyphorbol 13-acetate

Common Name: 12-O-[(2S)-N,N-Dimethyl-3-methylbutanoyl]-4-deoxyphorbol 13-acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H43NO7/c1-14(2)22(30(8)9)26(34)36-25-16(4)28(35)20-10-15(3)23(33)19(20)11-18(13-31)12-21(28)24-27(6,7)29(24,25)37-17(5)32/h10,12,14,16,19-22,24-25,31,35H,11,13H2,1-9H3/t16-,19-,20-,21+,22+,24-,25-,28+,29-/m1/s1

InChIKey: InChIKey=VCEYVQJHAJGATA-ZPRGDDEXSA-N

Formula: C29H43N1O7

Molecular Weight: 517.655371

Exact Mass: 517.303953

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) 155.5
2 (C) 144.1
3 (C) 212.8
4 (CH) 49.6
5 (CH2) 25.3
6 (C) 138
7 (CH) 125.6
8 (CH) 40.5
9 (C) 78.5
10 (CH) 47.4
11 (CH) 43.5
12 (CH) 79.6
13 (C) 65.4
14 (CH) 37.6
15 (C) 25.7
16 (CH3) 16.9
17 (CH3) 24.4
18 (CH3) 12.5
19 (CH3) 10.7
20 (CH2) 69.3
12a (C) 168
12b (CH) 77.4
12c (CH) 28.4
12d (CH3) 19.8
12ba (CH3) 42.5
12bb (CH3) 42.5
12ca (CH3) 22.6
13a (C) 173.1
13b (CH3) 21.4