Spektraris NMR
Triptocalline A
Common Name: Triptocalline A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h15,18-21,24,29,32H,7-14H2,1-6H3/t15-,18-,19+,20+,21-,24-,25+,26-,27-,28+/m1/s1
InChIKey: InChIKey=UUGCGHAFZPEHIC-OIOGIDCRSA-N
Formula: C28H42O4
Molecular Weight: 442.631736
Exact Mass: 442.30831
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nakano, K., Oose, Y., Takaishi, Y. Phytochemistry (1997) 46, 1179-82
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 (CH2) | 28.1 |
| 2 (CH) | 71.5 |
| 3 (C) | 200.1 |
| 4 (C) | 127.7 |
| 5 (C) | 159.2 |
| 6 (CH2) | 30.9 |
| 7 (CH2) | 20.8 |
| 8 (CH) | 47.7 |
| 9 (C) | 37.6 |
| 10 (CH) | 52.3 |
| 11 (CH2) | 33.1 |
| 12 (CH2) | 29.5 |
| 13 (C) | 39.5 |
| 14 (C) | 40 |
| 15 (CH2) | 28.1 |
| 16 (CH2) | 29.7 |
| 17 (C) | 44.9 |
| 18 (CH) | 45.3 |
| 19 (CH2) | 31.7 |
| 20 (CH) | 41.3 |
| 21 (C) | 214 |
| 22 (CH) | 77.2 |
| 23 (CH3) | 11.2 |
| 25 (CH3) | 15.6 |
| 26 (CH3) | 19.1 |
| 27 (CH3) | 17.5 |
| 28 (CH3) | 25.2 |
| 30 (CH3) | 14.8 |
