Spektraris NMR
Bis-andrograpolide D
Common Name: Bis-andrograpolide D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H60O9/c1-24-8-12-32-38(3,17-14-34(45)40(32,5)22-42)29(24)11-10-26(36(47)49-7)20-31(44)28(27-16-19-50-37(27)48)21-30-25(2)9-13-33-39(30,4)18-15-35(46)41(33,6)23-43/h10,16,28-30,32-35,42-43,45-46H,1-2,8-9,11-15,17-23H2,3-7H3/b26-10+/t28?,29-,30-,32+,33+,34-,35-,38+,39+,40+,41+/m1/s1
InChIKey: InChIKey=XROWRFVLPINXAN-VFKRGTNXSA-N
Formula: C41H60O9
Molecular Weight: 696.911261
Exact Mass: 696.423734
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Matsuda, T., Kuroyanagi, M., Sugiyama, S., Umehara, K., Ueno, A., Nishi, K. Chem Pharm Bull (1994) 42, 1216-25
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 36.5 |
| 2 (CH2) | 28.3 |
| 3 (CH) | 80.4 |
| 4 (C) | 42.8 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 23.8 |
| 7 (CH2) | 38.1 |
| 8 (C) | 147.1 |
| 9 (CH) | 53.9 |
| 10 (C) | 39.2 |
| 11 (CH2) | 26.4 |
| 12 (CH) | 45.9 |
| 13 (C) | 132.8 |
| 14 (CH) | 146.5 |
| 15 (CH2) | 70.8 |
| 16 (C) | 173.4 |
| 17 (CH2) | 108.4 |
| 18 (CH3) | 22.9 |
| 19 (CH2) | 64.2 |
| 20 (CH3) | 15.4 |
| 1' (CH2) | 37 |
| 2' (CH2) | 28.2 |
| 3' (CH) | 80.4 |
| 4' (C) | 42.8 |
| 5' (CH) | 55.2 |
| 6' (CH2) | 24 |
| 7' (CH2) | 37.9 |
| 8' (C) | 146.3 |
| 9' (CH) | 55.9 |
| 10' (C) | 38.9 |
| 11' (CH2) | 24.6 |
| 12' (CH) | 147.5 |
| 13' (C) | 124.6 |
| 14' (CH2) | 43.1 |
| 15' (C) | 206.3 |
| 16' (C) | 167.2 |
| 17' (CH2) | 108.8 |
| 18' (CH3) | 22.9 |
| 19' (CH2) | 64.2 |
| 20' (CH3) | 15.1 |
| 16'a (CH3) | 52 |
