Spektraris NMR
sophoradiol
Common Name: sophoradiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3/t20-,21-,22+,23-,24+,27+,28-,29+,30+/m0/s1
InChIKey: InChIKey=ZEGUWBQDYDXBNS-FVFJQADASA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
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) | 28.2 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.4 |
| 5 (CH) | 55.9 |
| 6 (CH2) | 18.9 |
| 7 (CH2) | 33.3 |
| 8 (C) | 40.1 |
| 9 (CH) | 48.1 |
| 10 (C) | 37.3 |
| 11 (CH2) | 23.9 |
| 12 (CH) | 122.5 |
| 13 (C) | 144.9 |
| 14 (C) | 42.5 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 28.7 |
| 17 (C) | 38 |
| 18 (CH) | 45.4 |
| 19 (CH2) | 46.9 |
| 20 (C) | 30.9 |
| 21 (CH2) | 42.3 |
| 22 (CH) | 75.6 |
| 23 (CH3) | 28.8 |
| 24 (CH3) | 15.9 |
| 25 (CH3) | 16.6 |
| 26 (CH3) | 17.3 |
| 27 (CH3) | 25.8 |
| 28 (CH3) | 28.8 |
| 29 (CH3) | 33.3 |
| 30 (CH3) | 21.2 |
