Spektraris NMR
Koelpinin-A
Common Name: Koelpinin-A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O2/c1-17(2)18-8-9-19-21(30)16-29(7)20(25(18)19)10-11-23-27(5)14-13-24(31)26(3,4)22(27)12-15-28(23,29)6/h10,17-18,21-24,30-31H,8-9,11-16H2,1-7H3/t18-,21+,22-,23+,24-,27-,28+,29+/m0/s1
InChIKey: InChIKey=RCQKIAQMJAWKQW-FWJXMJEGSA-N
Formula: C29H46O2
Molecular Weight: 426.675426
Exact Mass: 426.349781
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Koul, S., Razdan, T.K., Andotra, C.S., Kalla, A.K., Taneja, S.C., Dhar, K.L. Phytochemistry (2000) 53, 305-9
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 38.7 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 77.5 |
| 4 (C) | 38.2 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41.2 |
| 9 (CH) | 50.7 |
| 10 (C) | 36.3 |
| 11 (CH2) | 31.9 |
| 12 (CH) | 128.6 |
| 13 (C) | 149.2 |
| 14 (C) | 45.4 |
| 15 (CH2) | 28.3 |
| 16 (CH) | 78.2 |
| 17 (C) | 154.3 |
| 18 (C) | 152.6 |
| 19 (CH) | 47.5 |
| 20 (CH) | 28 |
| 21 (CH2) | 30.6 |
| 22 (CH2) | 48.9 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 18.9 |
| 27 (CH3) | 20.3 |
| 29 (CH3) | 16.9 |
| 30 (CH3) | 17.8 |
