Spektraris NMR
Karaviloside III
Common Name: Karaviloside III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C37H62O8/c1-21(11-10-15-33(2,3)42)22-14-16-37(8)31-25(43-9)19-24-23(35(31,6)17-18-36(22,37)7)12-13-27(34(24,4)5)45-32-30(41)29(40)28(39)26(20-38)44-32/h10,15,19,21-23,25-32,38-42H,11-14,16-18,20H2,1-9H3/b15-10+/t21-,22-,23-,25+,26-,27+,28-,29-,30-,31-,32+,35+,36-,37+/m1/s1
InChIKey: InChIKey=SQGCPGUUCGINMK-RWVJRPFNSA-N
Formula: C37H62O8
Molecular Weight: 634.884794
Exact Mass: 634.444469
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) | 22.5 |
| 2 (CH2) | 28.7 |
| 3 (CH) | 87.5 |
| 4 (C) | 41.9 |
| 5 (C) | 148 |
| 6 (CH) | 119 |
| 7 (CH) | 77.6 |
| 8 (CH) | 48.8 |
| 9 (C) | 34.3 |
| 10 (CH) | 39.3 |
| 11 (CH2) | 32.8 |
| 12 (CH2) | 30.3 |
| 13 (C) | 46.2 |
| 14 (C) | 48.2 |
| 15 (CH2) | 34.9 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 50.1 |
| 18 (CH3) | 15.5 |
| 19 (CH3) | 29.1 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 18.9 |
| 22 (CH2) | 39.5 |
| 23 (CH) | 124.3 |
| 24 (CH) | 141.5 |
| 25 (C) | 69.7 |
| 26 (CH3) | 30.7 |
| 27 (CH3) | 30.7 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 25.7 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 104.6 |
| 2' (CH) | 72 |
| 3' (CH) | 73.2 |
| 4' (CH) | 69.2 |
| 5' (CH) | 75.4 |
| 6' (CH2) | 63.3 |
| 7a (CH3) | 56.1 |
