Spektraris NMR
Triptohypol A
Common Name: Triptohypol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O6/c1-26-7-8-27(2,25(34)35)15-22(26)30(5)12-10-28(3)18-13-20(33)24(36-6)17(16-31)23(18)19(32)14-21(28)29(30,4)11-9-26/h13-14,22,31,33H,7-12,15-16H2,1-6H3,(H,34,35)/t22?,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=QWODMBKBVGCKFL-GOSHRYQWSA-N
Formula: C30H40O6
Molecular Weight: 496.636137
Exact Mass: 496.282489
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Duan, H.G., Kawazoe, K., Bando, M., Kido, M., Takaishi, Y. Phytochemistry (1997) 46, 535-43
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Celastranes; 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) | 111.7 |
| 2 (C) | 153.8 |
| 3 (C) | 144.9 |
| 4 (C) | 134.8 |
| 5 (C) | 122.8 |
| 6 (C) | 188.2 |
| 7 (CH) | 125.2 |
| 8 (C) | 175.2 |
| 9 (C) | 40.9 |
| 10 (C) | 156.2 |
| 11 (CH2) | 34 |
| 12 (CH2) | 29.7 |
| 13 (C) | 39.4 |
| 14 (C) | 45.3 |
| 15 (CH2) | 28.8 |
| 16 (CH2) | 36.5 |
| 17 (C) | 30.6 |
| 18 (CH) | 44.4 |
| 19 (CH2) | 31 |
| 20 (C) | 40.3 |
| 21 (CH2) | 29.8 |
| 22 (CH2) | 34.8 |
| 23 (CH2) | 63.3 |
| 25 (CH3) | 37.6 |
| 26 (CH3) | 20.9 |
| 27 (CH3) | 19.2 |
| 28 (CH3) | 31.7 |
| 29 (C) | 182.6 |
| 30 (CH3) | 32.6 |
| 3a (CH3) | 56.9 |
