Spektraris NMR
Bis-andrograpolide A
Common Name: Bis-andrograpolide A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H56O8/c1-23-7-11-31-37(3,16-13-33(43)39(31,5)21-41)28(23)10-9-25-19-30(48-35(25)45)27(26-15-18-47-36(26)46)20-29-24(2)8-12-32-38(29,4)17-14-34(44)40(32,6)22-42/h9-10,15,19,27-34,41-44H,1-2,7-8,11-14,16-18,20-22H2,3-6H3/b10-9+/t27?,28-,29-,30+,31+,32+,33-,34-,37+,38+,39+,40+/m1/s1
InChIKey: InChIKey=WQHWOZANSOUSAY-MHFFCXQSSA-N
Formula: C40H56O8
Molecular Weight: 664.869358
Exact Mass: 664.397519
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) | 36.7 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 80.3 |
| 4 (C) | 42.8 |
| 5 (CH) | 55.6 |
| 6 (CH2) | 24 |
| 7 (CH2) | 38.1 |
| 8 (C) | 147 |
| 9 (CH) | 55.1 |
| 10 (C) | 39.5 |
| 11 (CH2) | 23 |
| 12 (CH) | 38.4 |
| 13 (C) | 134.2 |
| 14 (CH) | 148.3 |
| 15 (CH2) | 70.6 |
| 16 (C) | 173.5 |
| 17 (CH2) | 108.1 |
| 18 (CH3) | 22.9 |
| 19 (CH2) | 64.1 |
| 20 (CH3) | 14.9 |
| 1' (CH2) | 38.3 |
| 2' (CH2) | 28.1 |
| 3' (CH) | 80.6 |
| 4' (C) | 42.8 |
| 5' (CH) | 54.6 |
| 6' (CH2) | 23 |
| 7' (CH2) | 36.6 |
| 8' (C) | 148 |
| 9' (CH) | 61.7 |
| 10' (C) | 38.6 |
| 11' (CH) | 136.9 |
| 12' (CH) | 120.8 |
| 13' (C) | 130.1 |
| 14' (CH) | 145 |
| 15' (CH) | 81.1 |
| 16' (C) | 171.7 |
| 17' (CH2) | 109.1 |
| 18' (CH3) | 22.8 |
| 19' (CH2) | 64.2 |
| 20' (CH3) | 22.8 |
