Spektraris NMR
Haperforine A
Common Name: Haperforine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H36O14/c1-14(32)41-18-19-26(5,11-9-17(34)39-8)29(37)24(36)25(3,4)45-31(29,38)28(19,7)30-22(44-30)23(35)43-20(16-10-12-40-13-16)27(30,6)21(18)42-15(2)33/h9-13,18-22,37-38H,1-8H3/b11-9-/t18-,19-,20+,21-,22-,26-,27-,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=HVLGSQRFTUKQIK-DDQFOKMUSA-N
Formula: C31H36O14
Molecular Weight: 632.610349
Exact Mass: 632.210506
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) | 204.17 |
| 2 (C) | 87.8 |
| 3 (C) | 108.5 |
| 4 (C) | 81.7 |
| 5 (CH) | 152.2 |
| 6 (CH) | 123.9 |
| 7 (C) | 167.2 |
| 8 (C) | 49.8 |
| 9 (CH) | 48.5 |
| 10 (C) | 51.1 |
| 11 (CH) | 63.9 |
| 12 (CH) | 71.8 |
| 13 (C) | 42.8 |
| 14 (C) | 66.6 |
| 15 (CH) | 55 |
| 16 (C) | 167.5 |
| 17 (CH) | 75.9 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 19.4 |
| 20 (C) | 120.1 |
| 21 (CH) | 144.2 |
| 22 (CH) | 109.9 |
| 23 (CH) | 142.1 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 24.5 |
| 30 (CH3) | 16.5 |
| 7a (CH3) | 52.7 |
| 11a (C) | 170.1 |
| 11b (CH3) | 21.6 |
| 12a (C) | 170.5 |
| 12b (CH3) | 21.4 |
