Spektraris NMR
12-Desacetylhaperforine A
Common Name: 12-Desacetylhaperforine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H34O13/c1-13(30)39-16-17-24(4,10-8-15(31)37-7)27(35)22(34)23(2,3)42-29(27,36)26(17,6)28-20(41-28)21(33)40-19(14-9-11-38-12-14)25(28,5)18(16)32/h8-12,16-20,32,35-36H,1-7H3/b10-8-/t16-,17-,18-,19+,20-,24-,25+,26-,27+,28-,29+/m1/s1
InChIKey: InChIKey=LFADSCVXFWOCJP-RDRONKBCSA-N
Formula: C29H34O13
Molecular Weight: 590.573591
Exact Mass: 590.199941
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Khuong-Huu, Q., Chiaroni, A., Riche, C., Nguyen-Ngoc, H., Nguyen-Viet, K., Khuong-Huu, F. J Nat Prod (2000) 63, 1015-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 205 |
| 2 (C) | 88.1 |
| 3 (C) | 108.5 |
| 4 (C) | 81.7 |
| 5 (CH) | 152.5 |
| 6 (CH) | 124 |
| 7 (C) | 167.2 |
| 8 (C) | 49.6 |
| 9 (CH) | 49 |
| 10 (C) | 51.1 |
| 11 (CH) | 67.5 |
| 12 (CH) | 70.4 |
| 13 (C) | 43.6 |
| 14 (C) | 65.9 |
| 15 (CH) | 54.8 |
| 16 (C) | 168.2 |
| 17 (CH) | 76.5 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 19.8 |
| 20 (C) | 120.8 |
| 21 (CH) | 143.8 |
| 22 (CH) | 110.5 |
| 23 (CH) | 142 |
| 28 (CH3) | 28 |
| 29 (CH3) | 24.5 |
| 30 (CH3) | 16.8 |
| 7a (CH3) | 52.7 |
| 11a (C) | 170.8 |
| 11b (CH3) | 22.1 |
