Spektraris NMR
Triptohypol B
Common Name: Triptohypol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H40O5/c1-17-23-18(14-20(32)24(17)35-7)28(4)11-13-30(6)22-16-27(3,25(33)34)9-8-26(22,2)10-12-29(30,5)21(28)15-19(23)31/h14-15,22,32H,8-13,16H2,1-7H3,(H,33,34)/t22?,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=KFGGKCFEQGLWFO-GOSHRYQWSA-N
Formula: C30H40O5
Molecular Weight: 480.636732
Exact Mass: 480.287574
NMR Solvent: C5D5N
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) | 155 |
| 3 (C) | 146 |
| 4 (C) | 133.7 |
| 5 (C) | 122.4 |
| 6 (C) | 186.9 |
| 7 (CH) | 126.6 |
| 8 (C) | 170.7 |
| 9 (C) | 40.4 |
| 10 (C) | 155.3 |
| 11 (CH2) | 34.5 |
| 12 (CH2) | 30.1 |
| 13 (C) | 39.4 |
| 14 (C) | 44.6 |
| 15 (CH2) | 29 |
| 16 (CH2) | 36.8 |
| 17 (C) | 30.8 |
| 18 (CH) | 44.8 |
| 19 (CH2) | 31.2 |
| 20 (C) | 40.6 |
| 21 (CH2) | 30.5 |
| 22 (CH2) | 35.5 |
| 23 (CH3) | 14.8 |
| 25 (CH3) | 37.7 |
| 26 (CH3) | 21.1 |
| 27 (CH3) | 18.9 |
| 28 (CH3) | 31.7 |
| 29 (C) | 181 |
| 30 (CH3) | 33.2 |
| 3a (CH3) | 60 |
