Spektraris NMR
Anisodorin 3
Common Name: Anisodorin 3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H42O6/c1-16(26)30-14-17(27)15-31-21(28)20-24(5)12-8-18-22(2,3)10-7-11-23(18,4)19(24)9-13-25(20,6)29/h17-20,27,29H,7-15H2,1-6H3/t17-,18+,19-,20+,23+,24-,25-/m0/s1
InChIKey: InChIKey=MVBVSKIJDOZAPB-KOUISDIFSA-N
Formula: C25H42O6
Molecular Weight: 438.598339
Exact Mass: 438.298139
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Gavagnin, M., Ungur, N., Castelluccio, F., Muniain, C., Cimino, G. J Nat Prod (1999) 62, 269-74
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isocopalanes; 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) | 18.6 |
| 3 (CH2) | 42.1 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 42.3 |
| 8 (C) | 38.7 |
| 9 (CH) | 59.7 |
| 10 (C) | 37.7 |
| 11 (CH2) | 17.2 |
| 12 (CH2) | 40.1 |
| 13 (C) | 70.4 |
| 14 (CH) | 64.2 |
| 15 (C) | 175.2 |
| 16 (CH3) | 30.9 |
| 17 (CH3) | 16.9 |
| 18 (CH3) | 21.4 |
| 19 (CH3) | 33.3 |
| 20 (CH3) | 16.3 |
| 15a (CH2) | 64.9 |
| 15b (CH) | 68.3 |
| 15c (CH2) | 65.2 |
| 15ca (C) | 171 |
| 15cb (CH3) | 20.8 |
