Spektraris NMR
3-O-Tigloylswietenolide
Common Name: 3-O-Tigloylswietenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H40O10/c1-8-16(2)25(35)42-28-29(3,4)23(22(34)26(36)39-7)31(6)19-9-11-30(5)20(18(19)14-32(28,38)27(31)37)13-21(33)41-24(30)17-10-12-40-15-17/h8,10,12,15,19,22-24,28,34,38H,9,11,13-14H2,1-7H3/b16-8+/t19-,22-,23-,24-,28-,30+,31+,32-/m0/s1
InChIKey: InChIKey=BEPQSACHIBDHIF-RTCQMBKLSA-N
Formula: C32H40O10
Molecular Weight: 584.655228
Exact Mass: 584.262148
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Abdelgaleil, S.A., Doe, M., Morimoto, Y., Nakatani, M. Phytochemistry (2006) 67, 452-8
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) | 217.2 |
| 2 (C) | 77.9 |
| 3 (CH) | 87.5 |
| 4 (C) | 39.7 |
| 5 (CH) | 45 |
| 6 (CH) | 73.1 |
| 7 (C) | 175.3 |
| 8 (C) | 126.4 |
| 9 (CH) | 53 |
| 10 (C) | 52.5 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 29.6 |
| 13 (C) | 38.2 |
| 14 (C) | 132.8 |
| 15 (CH2) | 33.2 |
| 16 (C) | 169 |
| 17 (CH) | 80.9 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 17.7 |
| 20 (C) | 120.7 |
| 21 (CH) | 141.1 |
| 22 (CH) | 109.7 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 23.3 |
| 29 (CH3) | 22.2 |
| 30 (CH2) | 44.7 |
| 3a (C) | 167 |
| 3b (C) | 129.2 |
| 3c (CH) | 138.7 |
| 3d (CH3) | 14.5 |
| 3ba (CH3) | 12.4 |
| 7a (CH3) | 53.2 |
