Spektraris NMR
Karavilagenins C
Common Name: Karavilagenins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-19(2)16-21(32)17-20(3)22-12-13-31(8)27-25(34-9)18-24-23(10-11-26(33)28(24,4)5)29(27,6)14-15-30(22,31)7/h16,18,20-23,25-27,32-33H,10-15,17H2,1-9H3/t20-,21?,22-,23-,25+,26+,27-,29+,30-,31+/m1/s1
InChIKey: InChIKey=MTYMFIWYWSHNSU-BTRNMYBISA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Nakamura, S., Murakami, T., Nakamura, J., Kobayashi, H., Matsuda, H., Yoshikawa, M. Chem Pharm Bull (2006) 54, 1545-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cucurbitanes; 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) | 21 |
| 2 (CH2) | 28.6 |
| 3 (CH) | 76.6 |
| 4 (C) | 41.6 |
| 5 (C) | 146.7 |
| 6 (CH) | 120.8 |
| 7 (CH) | 77.1 |
| 8 (CH) | 47.8 |
| 9 (C) | 33.9 |
| 10 (CH) | 38.6 |
| 11 (CH2) | 32.6 |
| 12 (CH2) | 30.1 |
| 13 (C) | 46.1 |
| 14 (C) | 47.8 |
| 15 (CH2) | 34.5 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 50.7 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 28.8 |
| 20 (CH) | 32.6 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 44.4 |
| 23 (CH) | 65.8 |
| 24 (CH) | 129 |
| 25 (C) | 133.6 |
| 26 (CH3) | 25.6 |
| 27 (CH3) | 18 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 25.3 |
| 30 (CH3) | 17.9 |
| 7a (CH3) | 56.2 |
