Spektraris NMR
Karaviloside V
Common Name: Karaviloside V
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H72O14/c1-20(2)16-25(54-38-35(51)33(49)31(47)27(18-44)55-38)30(46)21(3)22-12-13-43(8)37-26(53-9)17-24-23(41(37,6)14-15-42(22,43)7)10-11-29(40(24,4)5)57-39-36(52)34(50)32(48)28(19-45)56-39/h16-17,21-23,25-39,44-52H,10-15,18-19H2,1-9H3/t21-,22+,23+,25?,26-,27+,28+,29-,30?,31+,32+,33+,34+,35+,36+,37+,38+,39-,41-,42+,43-/m0/s1
InChIKey: InChIKey=NFGQKKGYMKRYEF-NPMWTNMCSA-N
Formula: C43H72O14
Molecular Weight: 813.025047
Exact Mass: 812.492207
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) | 28.8 |
| 3 (CH) | 87.7 |
| 4 (C) | 42 |
| 5 (C) | 148 |
| 6 (CH) | 119.2 |
| 7 (CH) | 77.7 |
| 8 (CH) | 48.9 |
| 9 (C) | 34.4 |
| 10 (CH) | 39.3 |
| 11 (CH2) | 32.9 |
| 12 (CH2) | 30.6 |
| 13 (C) | 46.6 |
| 14 (C) | 48 |
| 15 (CH2) | 35.3 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 46.6 |
| 18 (CH3) | 15.1 |
| 19 (CH3) | 29.2 |
| 20 (CH) | 40.9 |
| 21 (CH3) | 15 |
| 22 (CH) | 76.9 |
| 23 (CH) | 81.2 |
| 24 (CH) | 124.8 |
| 25 (C) | 135.4 |
| 26 (CH3) | 26.2 |
| 27 (CH3) | 18.6 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 25.9 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 103.6 |
| 2' (CH) | 73.1 |
| 3' (CH) | 73 |
| 4' (CH) | 69.1 |
| 5' (CH) | 75.6 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 104.8 |
| 2'' (CH) | 72.1 |
| 3'' (CH) | 73.3 |
| 4'' (CH) | 69.3 |
| 5'' (CH) | 75.9 |
| 6'' (CH2) | 63.4 |
| 7a (CH3) | 56.2 |
