Spektraris NMR
Quivisianolide A
Common Name: Quivisianolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H38O11/c1-8-15(2)23(35)41-25-27(3,4)17(11-20(33)38-7)29(6)24(36)30(25,37)26-31(43-26)18-12-21(34)40-22(16-9-10-39-14-16)28(18,5)13-19-32(29,31)42-19/h8-10,14,17-19,22,25-26,37H,11-13H2,1-7H3/b15-8-/t17-,18+,19+,22-,25-,26+,28+,29+,30-,31+,32-/m0/s1
InChIKey: InChIKey=MSDCRZJHDWGRGS-ZUXQKIEXSA-N
Formula: C32H38O11
Molecular Weight: 598.638752
Exact Mass: 598.241412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coombes, P.H., Mulholland, D.A., Randrianarivelojosia, M. Phytochemistry (2005) 66, 1100-7
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 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 (C) | 208.9 |
| 2 (C) | 78.5 |
| 3 (CH) | 84.6 |
| 4 (C) | 39.2 |
| 5 (CH) | 43.3 |
| 6 (CH2) | 32.1 |
| 7 (C) | 173.6 |
| 8 (C) | 62.1 |
| 9 (C) | 62.4 |
| 10 (C) | 50.8 |
| 11 (CH) | 56.7 |
| 12 (CH2) | 27.7 |
| 13 (C) | 34.4 |
| 14 (CH) | 38.7 |
| 15 (CH2) | 29 |
| 16 (C) | 169 |
| 17 (CH) | 82.8 |
| 18 (CH3) | 23.6 |
| 19 (CH3) | 24 |
| 20 (C) | 122 |
| 21 (CH) | 140.8 |
| 22 (CH) | 109.5 |
| 23 (CH) | 143.9 |
| 28 (CH3) | 10.9 |
| 29 (CH3) | 21.5 |
| 30 (CH) | 64.8 |
| 3a (C) | 166.4 |
| 3b (C) | 126.4 |
| 3c (CH) | 141.9 |
| 3d (CH3) | 16.3 |
| 3ba (CH3) | 21.2 |
| 7a (CH3) | 52.9 |
