Spektraris NMR
cantoniensistriol
Common Name: cantoniensistriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O3/c1-25(2)17-19-18-9-10-21-28(6)13-12-22(31)26(3,4)20(28)11-14-30(21,8)29(18,7)16-15-27(19,5)24(33)23(25)32/h9,19-24,31-33H,10-17H2,1-8H3/t19-,20-,21+,22-,23-,24+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=KHUOEBOCRCJBCG-HGLJOERNSA-N
Formula: C30H50O3
Molecular Weight: 458.717329
Exact Mass: 458.375995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kinjo J., Miyamoto I., Miurakami K., Kida K. T. T., Yamasaki M., Nohara T. Chem Pharm Bull (1985) 33, 1293
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.2 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.7 |
| 6 (CH2) | 18.8 |
| 7 (CH2) | 32.9 |
| 8 (C) | 40.3 |
| 9 (CH) | 48 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 122.6 |
| 13 (C) | 144.5 |
| 14 (C) | 42.1 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 27.5 |
| 17 (C) | 39.2 |
| 18 (CH) | 44 |
| 19 (CH2) | 47.3 |
| 20 (C) | 36.6 |
| 21 (CH) | 74.6 |
| 22 (CH) | 79.6 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 15.8 |
| 25 (CH3) | 16.5 |
| 26 (CH3) | 17.1 |
| 27 (CH3) | 26.7 |
| 28 (CH3) | 22.3 |
| 29 (CH3) | 31.5 |
| 30 (CH3) | 21.3 |
