Spektraris NMR
19-0-Isoaaleroy G
Common Name: 19-0-Isoaaleroy G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H44O6/c1-17(2)13-21(29)30-16-22(3)9-6-10-23(4)18(22)7-11-24(5)19(23)8-12-25(15-27,31-24)20(28)14-26/h17-20,26-28H,6-16H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+/m1/s1
InChIKey: InChIKey=ZISAHQWTSFATDH-RGOCWXFISA-N
Formula: C25H44O6
Molecular Weight: 440.61422
Exact Mass: 440.313789
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pérez-Castorena, A.L., Martinez-Vázquez, M., de Vivar, A.R. Phytochemistry (1997) 46, 729-34
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) | 43.7 |
| 2 (CH2) | 18 |
| 3 (CH2) | 38.9 |
| 4 (C) | 37 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 20.2 |
| 7 (CH2) | 36.5 |
| 8 (C) | 76.3 |
| 9 (CH) | 55.5 |
| 10 (C) | 36.9 |
| 11 (CH2) | 14.5 |
| 12 (CH2) | 25.9 |
| 13 (C) | 77.2 |
| 14 (CH) | 74.8 |
| 15 (CH2) | 66.8 |
| 16 (CH2) | 64.9 |
| 17 (CH3) | 24.3 |
| 18 (CH3) | 27.4 |
| 19 (CH2) | 62.1 |
| 20 (CH3) | 15.7 |
| 19a (C) | 173.4 |
| 19b (CH2) | 43.6 |
| 19c (CH) | 25.7 |
| 19d (CH3) | 22.4 |
| 19ca (CH3) | 22.4 |
