Spektraris NMR
Karavilagenins A
Common Name: Karavilagenins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O3/c1-21(12-11-16-28(2,3)35-10)22-15-17-32(8)27-25(34-9)20-24-23(13-14-26(33)29(24,4)5)30(27,6)18-19-31(22,32)7/h11,16,20-23,25-27,33H,12-15,17-19H2,1-10H3/b16-11+/t21-,22-,23-,25+,26+,27-,30+,31-,32+/m1/s1
InChIKey: InChIKey=OJXKMMLNVLFMJM-QTACYZFBSA-N
Formula: C32H54O3
Molecular Weight: 486.770564
Exact Mass: 486.407296
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) | 28.4 |
| 3 (CH) | 76.8 |
| 4 (C) | 41.6 |
| 5 (C) | 146.7 |
| 6 (CH) | 120.7 |
| 7 (CH) | 77.1 |
| 8 (CH) | 47.8 |
| 9 (C) | 33.9 |
| 10 (CH) | 38.5 |
| 11 (CH2) | 32.5 |
| 12 (CH2) | 29.9 |
| 13 (C) | 46 |
| 14 (C) | 47.7 |
| 15 (CH2) | 34.6 |
| 16 (CH2) | 27.5 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 15.3 |
| 19 (CH3) | 28.5 |
| 20 (CH) | 36.1 |
| 21 (CH3) | 18 |
| 22 (CH2) | 39.5 |
| 23 (CH) | 128.4 |
| 24 (CH) | 136.6 |
| 25 (C) | 74.7 |
| 26 (CH3) | 26 |
| 27 (CH3) | 25.7 |
| 28 (CH3) | 27.7 |
| 29 (CH3) | 25.3 |
| 30 (CH3) | 17.8 |
| 7a (CH3) | 56.1 |
| 25a (CH3) | 50.1 |
