Spektraris NMR
3α-hydroxy-13α,17α,21β-hopan-15,19-dione
Common Name: 3α-hydroxy-13α,17α,21β-hopan-15,19-dione
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-17(2)18-15-24(32)29(7)19(18)16-25(33)30(8)22(29)10-9-21-27(5)13-12-23(31)26(3,4)20(27)11-14-28(21,30)6/h17-23,31H,9-16H2,1-8H3/t18-,19+,20-,21+,22-,23-,27-,28+,29-,30-/m0/s1
InChIKey: InChIKey=PGHZPXAIUDLCLR-MTAXHOEDSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ruiz, A., Magalhaes, A.F., Faria, A.D., Magalhaes, E.G., Amaral, M.D.E. J Braz Chem Soc (2006) 17, 803-6
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Hopanes; 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) | 33.7 |
| 2 (CH2) | 25.3 |
| 3 (CH) | 75.9 |
| 4 (C) | 37.4 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 34.1 |
| 8 (C) | 44.7 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.8 |
| 11 (CH2) | 21.9 |
| 12 (CH2) | 24.5 |
| 13 (CH) | 50.4 |
| 14 (C) | 55.2 |
| 15 (C) | 215.7 |
| 16 (CH2) | 37.9 |
| 17 (CH) | 50.4 |
| 18 (C) | 52.1 |
| 19 (C) | 224.1 |
| 20 (CH2) | 37.2 |
| 21 (CH) | 48.9 |
| 22 (CH) | 28.9 |
| 23 (CH3) | 28.2 |
| 24 (CH3) | 22 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16.8 |
| 27 (CH3) | 18.1 |
| 28 (CH3) | 16.9 |
| 29 (CH3) | 20.3 |
| 30 (CH3) | 22.4 |
