Spektraris NMR
SCHEMBL96396
Common Name: SCHEMBL96396
Synonyms: SCHEMBL96396
CAS Registry Number:
InChI: InChI=1S/C23H30O5/c1-12(2)7-14-8-23(6-5-22(13(3)4)9-17(22)23)28-21-16(11-25)19(26)15(10-24)20(27)18(14)21/h10-14,17,26-27H,5-9H2,1-4H3/t14-,17-,22+,23+/m0/s1
InChIKey: InChIKey=DRQVGVASTZKOLP-UFTMPFERSA-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-Cyclomenthanes; 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) | 90.1 |
| 2 (CH) | 31.5 |
| 3 (CH2) | 13.1 |
| 4 (C) | 33.6 |
| 5 (CH2) | 25.8 |
| 6 (CH2) | 34.2 |
| 7 (CH2) | 32.3 |
| 8 (CH) | 32.2 |
| 9 (CH3) | 19.6 |
| 10 (CH3) | 20 |
| 1' (C) | 105.7 |
| 2' (C) | 163.1 |
| 3' (C) | 104.3 |
| 4' (C) | 167.8 |
| 5' (C) | 103.8 |
| 6' (C) | 169.3 |
| 7' (CH) | 26.1 |
| 8' (CH) | 191.9 |
| 9' (CH) | 191.3 |
| 10' (CH2) | 42.2 |
| 11' (CH) | 25.5 |
| 12' (CH3) | 20.9 |
| 13' (CH3) | 23.9 |
