Spektraris NMR
SCHEMBL96419
Common Name: SCHEMBL96419
Synonyms: SCHEMBL96419
CAS Registry Number:
InChI: InChI=1S/C23H30O5/c1-12(2)8-15-18-9-14(13(3)4)6-7-23(18,5)28-22-17(11-25)20(26)16(10-24)21(27)19(15)22/h6-7,10-15,18,26-27H,8-9H2,1-5H3/t14?,15-,18+,23+/m0/s1
InChIKey: InChIKey=GCAXPYWXIWWHHT-KTTBZHHISA-N
Formula: C23H30O5
Molecular Weight: 386.482173
Exact Mass: 386.209324
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kozuka, M., Sawada, T., Kasahara, F., Mizuta, E., Amano, T., Komiya, T., Goto, M. Chem Pharm Bull (1982) 30, 1952-63
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : p-Menthanes; 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 (C) | 78 |
| 2 (CH) | 130.5 |
| 3 (CH) | 134.3 |
| 4 (CH) | 40.7 |
| 5 (CH2) | 22.4 |
| 6 (CH) | 35.9 |
| 7 (CH3) | 25.7 |
| 8 (CH) | 31.9 |
| 9 (CH3) | 20.6 |
| 10 (CH3) | 20.9 |
| 1' (C) | 104.9 |
| 2' (C) | 163.3 |
| 3' (C) | 104.4 |
| 4' (C) | 167.8 |
| 5' (C) | 103.9 |
| 6' (C) | 169.8 |
| 7' (CH) | 29.7 |
| 8' (CH) | 192.1 |
| 9' (CH) | 191.4 |
| 10' (CH2) | 36.8 |
| 11' (CH) | 25.3 |
| 12' (CH3) | 23.5 |
| 13' (CH3) | 21.8 |
