Spektraris NMR
Kalavilosides I
Common Name: Kalavilosides I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C38H64O8/c1-22(12-11-16-34(2,3)44-10)23-15-17-38(8)32-26(43-9)20-25-24(36(32,6)18-19-37(23,38)7)13-14-28(35(25,4)5)46-33-31(42)30(41)29(40)27(21-39)45-33/h11,16,20,22-24,26-33,39-42H,12-15,17-19,21H2,1-10H3/b16-11+/t22-,23-,24-,26+,27-,28+,29-,30+,31-,32-,33+,36+,37-,38+/m1/s1
InChIKey: InChIKey=YCUBHAWXGLKZIA-IMIQUVAFSA-N
Formula: C38H64O8
Molecular Weight: 648.911412
Exact Mass: 648.460119
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) | 22.6 |
| 2 (CH2) | 28.9 |
| 3 (CH) | 87.8 |
| 4 (C) | 42.1 |
| 5 (C) | 148 |
| 6 (CH) | 119.2 |
| 7 (CH) | 77.7 |
| 8 (CH) | 48.9 |
| 9 (C) | 34.4 |
| 10 (CH) | 39.4 |
| 11 (CH2) | 32.8 |
| 12 (CH2) | 30.4 |
| 13 (C) | 46.3 |
| 14 (C) | 48.3 |
| 15 (CH2) | 35 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 50.3 |
| 18 (CH3) | 15.6 |
| 19 (CH3) | 29.2 |
| 20 (CH) | 36.5 |
| 21 (CH3) | 19.1 |
| 22 (CH2) | 39.8 |
| 23 (CH) | 128.5 |
| 24 (CH) | 137.7 |
| 25 (C) | 74.9 |
| 26 (CH3) | 26.1 |
| 27 (CH3) | 26.5 |
| 28 (CH3) | 28.9 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 107.6 |
| 2' (CH) | 75.2 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63.2 |
| 7a (CH3) | 56.3 |
| 25a (CH3) | 50.2 |
