Spektraris NMR
3β-Acetyl-nor-erythrophlamide
Common Name: 3β-Acetyl-nor-erythrophlamide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H39NO7/c1-15-17(13-22(31)27(5)11-12-28)7-8-18-23(15)19(30)14-20-25(18,3)10-9-21(34-16(2)29)26(20,4)24(32)33-6/h13,15,18,20-21,23,28H,7-12,14H2,1-6H3/b17-13+/t15-,18-,20+,21-,23-,25+,26+/m0/s1
InChIKey: InChIKey=DCLNZEMQIWSNFR-XSPXTRFCSA-N
Formula: C26H39N1O7
Molecular Weight: 477.5914
Exact Mass: 477.272653
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) | 36.8 |
| 2 (CH2) | 24 |
| 3 (CH) | 78.7 |
| 4 (C) | 48.1 |
| 5 (CH) | 52.1 |
| 6 (CH2) | 39.9 |
| 7 (C) | 209.1 |
| 8 (CH) | 53.3 |
| 9 (CH) | 46.8 |
| 10 (C) | 36.3 |
| 11 (CH2) | 27.1 |
| 12 (CH2) | 24.7 |
| 13 (C) | 156.7 |
| 14 (CH) | 38.8 |
| 15 (CH) | 114.8 |
| 16 (C) | 170.1 |
| 17 (CH3) | 15.1 |
| 18 (CH3) | 23.5 |
| 19 (C) | 173.5 |
| 20 (CH3) | 11.6 |
| 3a (C) | 170.8 |
| 3b (CH3) | 21.3 |
| 16a (CH2) | 51.2 |
| 16b (CH2) | 61.9 |
| 16c (CH3) | 37.3 |
| 19a (CH3) | 51.5 |
