Spektraris NMR
6α-Hydroxy-nor-cassamide
Common Name: 6α-Hydroxy-nor-cassamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H47NO11/c1-15-16(13-19(33)31(4)11-12-41-27-25(38)23(36)21(34)18(14-32)42-27)7-8-17-20(15)22(35)24(37)26-29(17,2)9-6-10-30(26,3)28(39)40-5/h13,15,17-18,20-21,23-27,32,34,36-38H,6-12,14H2,1-5H3/b16-13+/t15-,17-,18+,20-,21+,23-,24-,25+,26+,27+,29+,30-/m0/s1
InChIKey: InChIKey=GXTGEIIRPCIEGD-NWPWBNFHSA-N
Formula: C30H47N1O11
Molecular Weight: 597.69549
Exact Mass: 597.314911
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qu, J., Hu, Y.C., Yu, S.S., Chen, X.G., Li, Y. Planta Med (2006) 72, 442-9
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cassanes; 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) | 40.1 |
| 2 (CH2) | 19.5 |
| 3 (CH2) | 39.9 |
| 4 (C) | 45.5 |
| 5 (CH) | 58.7 |
| 6 (CH) | 76.1 |
| 7 (C) | 210.7 |
| 8 (CH) | 51.6 |
| 9 (CH) | 47.3 |
| 10 (C) | 38 |
| 11 (CH2) | 27.5 |
| 12 (CH2) | 24.9 |
| 13 (C) | 155.7 |
| 14 (CH) | 39.1 |
| 15 (CH) | 115.3 |
| 16 (C) | 169.3 |
| 17 (CH3) | 15.3 |
| 18 (CH3) | 31.8 |
| 19 (C) | 177.7 |
| 20 (CH3) | 14.3 |
| 1' (CH) | 103.6 |
| 2' (CH) | 70.4 |
| 3' (CH) | 73.7 |
| 4' (CH) | 69.9 |
| 5' (CH) | 76.3 |
| 6' (CH2) | 62.2 |
| 16a (CH2) | 47.4 |
| 16b (CH2) | 67.2 |
| 16c (CH3) | 36.9 |
| 19a (CH3) | 51.9 |
