Spektraris NMR
Quivisianone
Common Name: Quivisianone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H42O11/c1-9-18(2)26(37)44-28-29(3,4)22(14-23(34)41-7)31(6)20-10-12-30(5,25(36)19-11-13-43-17-19)33(40,16-24(35)42-8)21(20)15-32(28,39)27(31)38/h9,11,13,15,17,20,22,28,39-40H,10,12,14,16H2,1-8H3/b18-9-/t20-,22-,28-,30-,31+,32-,33+/m0/s1
InChIKey: InChIKey=WAYBSNDGZSTRBA-OVQCUWCCSA-N
Formula: C33H42O11
Molecular Weight: 614.68125
Exact Mass: 614.272712
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) | 214.3 |
| 2 (C) | 77 |
| 3 (CH) | 85.6 |
| 4 (C) | 39.6 |
| 5 (CH) | 40.5 |
| 6 (CH2) | 33.1 |
| 7 (C) | 172.9 |
| 8 (C) | 140.1 |
| 9 (CH) | 55 |
| 10 (C) | 50.3 |
| 11 (CH2) | 22.4 |
| 12 (CH2) | 33.7 |
| 13 (C) | 55.2 |
| 14 (C) | 77 |
| 15 (CH2) | 42.4 |
| 16 (C) | 170.2 |
| 17 (C) | 201.9 |
| 18 (CH3) | 19.2 |
| 19 (CH3) | 15.8 |
| 20 (C) | 124.5 |
| 21 (CH) | 148.5 |
| 22 (CH) | 110.8 |
| 23 (CH) | 142.9 |
| 28 (CH3) | 22.6 |
| 29 (CH3) | 20.6 |
| 30 (CH) | 127.7 |
| 3a (C) | 167.6 |
| 3b (C) | 127.7 |
| 3c (CH) | 141.1 |
| 3d (CH3) | 16.3 |
| 3ba (CH3) | 20.8 |
| 7a (CH3) | 52.2 |
| 16a (CH3) | 51.8 |
