Spektraris NMR
Spiraminace
Common Name: Spiraminace
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O5/c1-11-10-21-8-5-13(11)9-14(21)22-7-4-6-20(3)16(22)15(25-12(2)23)17(21)26-19(22)27-18(20)24/h10,13-19,24H,4-9H2,1-3H3/t13-,14+,15-,16+,17+,18?,19?,20+,21+,22+/m0/s1
InChIKey: InChIKey=BCVUSHCDLNESII-CNQKWTOHSA-N
Formula: C22H30O5
Molecular Weight: 374.471437
Exact Mass: 374.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hao, X.J., Nie, J.L. Phytochemistry (1998) 48, 1213-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Atisanes; 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) | 34.5 |
| 2 (CH2) | 25.3 |
| 3 (CH2) | 29.8 |
| 4 (C) | 37.5 |
| 5 (CH) | 55.7 |
| 6 (CH) | 69.8 |
| 7 (CH) | 71.4 |
| 8 (C) | 41 |
| 9 (CH) | 51.5 |
| 10 (C) | 35.8 |
| 11 (CH2) | 21.8 |
| 12 (CH) | 37.5 |
| 13 (CH2) | 20.9 |
| 14 (CH2) | 29.4 |
| 15 (CH) | 132.2 |
| 16 (C) | 139.1 |
| 17 (CH3) | 21.1 |
| 18 (CH3) | 22.7 |
| 19 (CH) | 95.4 |
| 20 (CH) | 97.3 |
| 6a (C) | 169.9 |
| 6b (CH3) | 20.7 |
