Spektraris NMR
SCHEMBL135022
Common Name: SCHEMBL135022
Synonyms: SCHEMBL135022
CAS Registry Number:
InChI: InChI=1S/C23H30O5/c1-12(2)8-18(25)19-20(26)16-10-15-9-14(13(3)4)6-7-23(15,5)28-22(16)17(11-24)21(19)27/h6-7,11-15,26-27H,8-10H2,1-5H3/t14?,15-,23-/m1/s1
InChIKey: InChIKey=YGCRQAOHADEOEC-UWQOOYQHSA-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) | 78.3 |
| 2 (CH) | 130.4 |
| 3 (CH) | 132.9 |
| 4 (CH) | 38.7 |
| 5 (CH2) | 27.6 |
| 6 (CH) | 33.2 |
| 7 (CH3) | 27.4 |
| 8 (CH) | 31.8 |
| 9 (CH3) | 19.9 |
| 10 (CH3) | 19.8 |
| 1' (C) | 100.4 |
| 2' (C) | 160.6 |
| 3' (C) | 103.6 |
| 4' (C) | 167.8 |
| 5' (C) | 103.3 |
| 6' (C) | 171.1 |
| 7' (CH2) | 20.4 |
| 8' (CH) | 191.6 |
| 9' (C) | 206 |
| 10' (CH2) | 52.5 |
| 11' (CH) | 25 |
| 12' (CH3) | 22.7 |
| 13' (CH3) | 22.7 |
