Spektraris NMR
Koelpinin-C
Common Name: Koelpinin-C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H44O2/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/h10,17-18,22-24,31H,8-9,11-16H2,1-7H3/t18-,22-,23+,24-,27-,28+,29+/m0/s1
InChIKey: InChIKey=KLTLHPPOKSEAFC-AQWYDMDASA-N
Formula: C29H44O2
Molecular Weight: 424.659544
Exact Mass: 424.334131
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) | 38.1 |
| 2 (CH2) | 25.4 |
| 3 (CH) | 77.4 |
| 4 (C) | 38.6 |
| 5 (CH) | 55 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41.5 |
| 9 (CH) | 50.7 |
| 10 (C) | 36 |
| 11 (CH2) | 31.5 |
| 12 (CH) | 130.9 |
| 13 (C) | 151.8 |
| 14 (C) | 51.4 |
| 15 (CH2) | 33.5 |
| 16 (C) | 219.5 |
| 17 (C) | 158.7 |
| 18 (C) | 155.5 |
| 19 (CH) | 48.2 |
| 20 (CH) | 28.2 |
| 21 (CH2) | 31.2 |
| 22 (CH2) | 48.3 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 19.2 |
| 27 (CH3) | 23.8 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 17.6 |
