Spektraris NMR
Triptocalline B
Common Name: Triptocalline B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H42O3/c1-16-13-23-25(3,15-21(16)30)9-11-27(5)22-8-7-18-17(2)24(31)20(29)14-19(18)26(22,4)10-12-28(23,27)6/h16,19-20,22-23,29H,7-15H2,1-6H3/t16-,19-,20+,22+,23-,25+,26+,27-,28+/m1/s1
InChIKey: InChIKey=XQFHNOITSVLCHN-TWCWKPIJSA-N
Formula: C28H42O3
Molecular Weight: 426.632332
Exact Mass: 426.313395
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Wang, K.W., Zhang, H., Pan, Y.J. Helv Chim Acta (2007) 90, 277-81
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedelanes; 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) | 28.2 |
| 2 (CH) | 71 |
| 3 (C) | 199.6 |
| 4 (C) | 127.1 |
| 5 (C) | 158.8 |
| 6 (CH2) | 30.4 |
| 7 (CH2) | 20.3 |
| 8 (CH) | 47.3 |
| 9 (C) | 37.2 |
| 10 (CH) | 51.8 |
| 11 (CH2) | 32.4 |
| 12 (CH2) | 28.9 |
| 13 (C) | 39.2 |
| 14 (C) | 39.5 |
| 15 (CH2) | 27.9 |
| 16 (CH2) | 35.1 |
| 17 (C) | 37.7 |
| 18 (CH) | 43.4 |
| 19 (CH2) | 31.3 |
| 20 (CH) | 41.9 |
| 21 (C) | 213.7 |
| 22 (CH2) | 53.3 |
| 23 (CH3) | 10.7 |
| 25 (CH3) | 17 |
| 26 (CH3) | 15 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 32.3 |
| 30 (CH3) | 14.7 |
