Spektraris NMR
Anisodorin 1
Common Name: Anisodorin 1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H40O5/c1-16-8-9-20-24(5)12-7-11-23(3,4)19(24)10-13-25(20,6)21(16)22(28)30-15-18(27)14-29-17(2)26/h18-21,27H,1,7-15H2,2-6H3/t18-,19+,20-,21+,24+,25-/m0/s1
InChIKey: InChIKey=MRIXNVIBMMFXCM-RLBPEOPASA-N
Formula: C25H40O5
Molecular Weight: 420.583052
Exact Mass: 420.287574
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 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 42 |
| 4 (C) | 33.3 |
| 5 (CH) | 56.7 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 40.5 |
| 8 (C) | 39.8 |
| 9 (CH) | 59.2 |
| 10 (C) | 37.8 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 36.1 |
| 13 (C) | 143.4 |
| 14 (CH) | 63.2 |
| 15 (C) | 171.6 |
| 16 (CH2) | 108.2 |
| 17 (CH3) | 15 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 33.4 |
| 20 (CH3) | 16.2 |
| 15a (CH2) | 64.6 |
| 15b (CH) | 68.3 |
| 15c (CH2) | 65.3 |
| 15ca (C) | 171 |
| 15cb (CH3) | 20.8 |
