Spektraris NMR
Haperforine E
Common Name: Haperforine E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O8/c1-15-17-7-9-25(4)23(16-8-10-32-14-16)33-22(30)13-27(15,25)34-19(12-20(28)31-6)26(17,5)18-11-21(29)35-24(18,2)3/h8,10,14,17-19,23H,1,7,9,11-13H2,2-6H3/t17-,18?,19-,23-,25-,26+,27-/m0/s1
InChIKey: InChIKey=MACBKLYSZCNSHQ-HCOIKYSFSA-N
Formula: C27H34O8
Molecular Weight: 486.555094
Exact Mass: 486.225368
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) | 175.4 |
| 2 (CH2) | 33.7 |
| 3 (CH) | 50.8 |
| 4 (C) | 87.6 |
| 5 (CH) | 78.4 |
| 6 (CH2) | 35.1 |
| 7 (C) | 171.3 |
| 8 (C) | 146.5 |
| 9 (CH) | 48.8 |
| 10 (C) | 48 |
| 11 (CH2) | 26.3 |
| 12 (CH2) | 30.1 |
| 13 (C) | 41.5 |
| 14 (C) | 81.9 |
| 15 (CH2) | 32.6 |
| 16 (C) | 169.8 |
| 17 (CH) | 79.6 |
| 18 (CH3) | 14.5 |
| 19 (CH3) | 26.7 |
| 20 (C) | 120.8 |
| 21 (CH) | 142.9 |
| 22 (CH) | 109.8 |
| 23 (CH) | 140.6 |
| 28 (CH3) | 24.8 |
| 29 (CH3) | 33.2 |
| 30 (CH2) | 111.7 |
| 7a (CH3) | 52.3 |
