Spektraris NMR
odoratins D
Common Name: odoratins D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H44O13/c1-16(34)42-20-14-30(6)26(19-10-11-41-15-19)45-28(38)27-33(30,46-27)32(8)23(44-18(3)36)12-21(29(4,5)39)31(7,25(20)32)22(43-17(2)35)13-24(37)40-9/h10-11,15,20-23,25-27,39H,12-14H2,1-9H3/t20-,21-,22-,23+,25+,26-,27+,30-,31+,32+,33+/m0/s1
InChIKey: InChIKey=RSIYXEAXVGYFPE-WOEAOWLDSA-N
Formula: C33H44O13
Molecular Weight: 648.695942
Exact Mass: 648.278191
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kipassa, N.T., Iwagawa, T., Okamura, H., Doe, M., Morimoto, Y., Nakatani, M. Phytochemistry (2008) 69, 1782-7
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 (CH) | 76.4 |
| 2 (CH2) | 35.1 |
| 3 (C) | 172.1 |
| 4 (C) | 74.9 |
| 5 (CH) | 46.4 |
| 6 (CH2) | 26.5 |
| 7 (CH) | 75.1 |
| 8 (C) | 41.6 |
| 9 (CH) | 39.7 |
| 10 (C) | 48.3 |
| 11 (CH) | 69.9 |
| 12 (CH2) | 37.9 |
| 13 (C) | 36.9 |
| 14 (C) | 68.9 |
| 15 (CH) | 54.9 |
| 16 (C) | 167.3 |
| 17 (CH) | 78.3 |
| 18 (CH3) | 17.9 |
| 19 (CH3) | 17.9 |
| 20 (C) | 120 |
| 21 (CH) | 141.4 |
| 22 (CH) | 109.8 |
| 23 (CH) | 143.4 |
| 28 (CH3) | 34.9 |
| 29 (CH3) | 26.7 |
| 30 (CH3) | 20.2 |
| 1a (C) | 169.8 |
| 1b (CH3) | 21 |
| 3a (CH3) | 52.1 |
| 7a (C) | 169.9 |
| 7b (CH3) | 21.5 |
| 11a (C) | 170.9 |
| 11b (CH3) | 20.6 |
