Spektraris NMR
3β-acetoxycycloart-24,25-diol
Common Name: 3β-acetoxycycloart-24,25-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O3/c1-19(8-11-24(32)26(4,5)33)20-12-14-28(7)22-10-9-21-25(2,3)23(31)13-15-29(21)18-30(22,29)17-16-27(20,28)6/h19-24,31-33H,8-18H2,1-7H3/t19-,20-,21+,22+,23+,24-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=BKRIPHYESIGPJC-LEDYUWLESA-N
Formula: C30H52O3
Molecular Weight: 460.733211
Exact Mass: 460.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - de Pascual Teresa, J., Urones, J.G., Marcos, I.S., Basabe, P., Sexmero Cuadrado, M.J., Fernandez Moro, R. Phytochemistry (1987) 26, 1767-76
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 (CH2) | 32.01 |
| 2 (CH2) | 30.44 |
| 3 (CH) | 78.88 |
| 4 (C) | 40.53 |
| 5 (CH) | 47.2 |
| 6 (CH2) | 21.15 |
| 7 (CH2) | 28.16 |
| 8 (CH) | 47.95 |
| 9 (C) | 20.05 |
| 10 (C) | 26.07 |
| 11 (CH2) | 26.03 |
| 12 (CH2) | 35.81 |
| 13 (C) | 45.42 |
| 14 (C) | 48.88 |
| 15 (CH2) | 33.03 |
| 16 (CH2) | 26.23 |
| 17 (CH) | 52.44 |
| 18 (CH3) | 18.05 |
| 19 (CH2) | 29.86 |
| 20 (CH) | 35.91 |
| 21 (CH3) | 18.22 |
| 22 (CH2) | 33.23 |
| 23 (CH2) | 28.4 |
| 24 (CH) | 78.7 |
| 25 (C) | 73.22 |
| 26 (CH3) | 23.4 |
| 27 (CH3) | 26.57 |
| 28 (CH3) | 19.35 |
| 29 (CH3) | 14.03 |
| 30 (CH3) | 25.46 |
