Spektraris NMR
Isocrytoporic acid H
Common Name: Isocrytoporic acid H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O7/c1-12-6-7-15-20(2,3)8-5-9-21(15,4)14(12)11-28-17(19(26)27)13(18(24)25)10-16(22)23/h6,13-15,17H,5,7-11H2,1-4H3,(H,22,23)(H,24,25)(H,26,27)/t13-,14-,15-,17+,21+/m0/s1
InChIKey: InChIKey=PGTQRMPLONEWBV-YIBSWQHHSA-N
Formula: C21H32O7
Molecular Weight: 396.475392
Exact Mass: 396.214803
NMR Solvent: C+M
MHz:
Calibration:
NMR references: 13C - Cabrera G.M., Julia Roberti M., Wright J.E., Seldes A.M. Phytochemistry (2002) 61, 189-93
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Drimanes; 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) | 19.3 |
| 3 (CH2) | 42.8 |
| 4 (C) | 33.4 |
| 5 (CH) | 50.6 |
| 6 (CH2) | 24.2 |
| 7 (CH) | 123.2 |
| 8 (C) | 134.3 |
| 9 (CH) | 55.4 |
| 10 (C) | 36.3 |
| 11 (CH2) | 70.3 |
| 12 (CH3) | 22.1 |
| 13 (CH3) | 33.6 |
| 14 (CH3) | 22.2 |
| 15 (CH3) | 14.8 |
| 11a (CH) | 79.6 |
| 11b (CH) | 45.2 |
| 11c (CH2) | 32.8 |
| 11aa (C) | 173.7 |
| 11ba (C) | 174.2 |
| 11ca (C) | 175 |
