Spektraris NMR
Thailandiol
Common Name: Thailandiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18(2)14-20(31)15-19(3)21-10-11-28(7)23-9-8-22-26(4,5)24(32)16-25(33)30(22)17-29(23,30)13-12-27(21,28)6/h14,19,21-25,32-33H,8-13,15-17H2,1-7H3/t19-,21-,22+,23+,24+,25+,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=ZZYMHGCHGDEWKR-LBVFNNMGSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tuchinda, P., Saiai, A., Pohmakotr, M., Yoosook, C., Kasisit, J., Napaswat, C., Santisuk, T., Reutrakul, V. Planta Med (2004) 70, 366-70
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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 (CH) | 73.6 |
| 2 (CH2) | 36.61 |
| 3 (CH) | 73.75 |
| 4 (C) | 40.42 |
| 5 (CH) | 39.43 |
| 6 (CH2) | 20.73 |
| 7 (CH2) | 25.75 |
| 8 (CH) | 47.91 |
| 9 (C) | 20.72 |
| 10 (C) | 30.25 |
| 11 (CH2) | 25.95 |
| 12 (CH2) | 32.71 |
| 13 (C) | 45.24 |
| 14 (C) | 48.89 |
| 15 (CH2) | 35.63 |
| 16 (CH2) | 28.27 |
| 17 (CH) | 52.5 |
| 18 (CH3) | 18.24 |
| 19 (CH2) | 29.91 |
| 20 (CH) | 33.37 |
| 21 (CH3) | 19.33 |
| 22 (CH2) | 51.68 |
| 23 (C) | 201.58 |
| 24 (CH) | 124.35 |
| 25 (C) | 154.69 |
| 26 (CH3) | 27.65 |
| 27 (CH3) | 20.65 |
| 28 (CH3) | 25.15 |
| 29 (CH3) | 13 |
| 30 (CH3) | 19.41 |
