12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 13-acetate

12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 13-acetate

Common Name: 12-O-[(2R)-N,N-dimethyl-3-methylbutanoyl]phorbol 13-acetate

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H43NO8/c1-14(2)21(30(8)9)25(34)37-24-16(4)28(36)19(22-26(6,7)29(22,24)38-17(5)32)11-18(13-31)12-27(35)20(28)10-15(3)23(27)33/h10-11,14,16,19-22,24,31,35-36H,12-13H2,1-9H3/t16-,19+,20-,21-,22-,24-,27+,28-,29-/m1/s1

InChIKey: InChIKey=NNQZZZKSYAIGAN-XUSXYMRCSA-N

Formula: C29H43N1O8

Molecular Weight: 533.654776

Exact Mass: 533.298867

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) 160.9
2 (C) 140.8
3 (C) 209.2
4 (C) 73.9
5 (CH2) 38.7
6 (C) 133.1
7 (CH) 129.2
8 (CH) 39.2
9 (C) 78.6
10 (CH) 56.3
11 (CH) 42.7
12 (CH) 76.2
13 (C) 66
14 (CH) 36.1
15 (C) 25.6
16 (CH3) 17
17 (CH3) 23.9
18 (CH3) 14.7
19 (CH3) 10.3
20 (CH2) 68.2
12a (C) 171.7
12b (CH) 74.7
12c (CH) 27.5
12d (CH3) 19.4
12ba (CH3) 41.4
12bb (CH3) 41.4
12ca (CH3) 19.8
13a (C) 173.9
13b (CH3) 21.3