Spektraris NMR
3β-acetoxycycloart-25-ene-24-one
Common Name: 3β-acetoxycycloart-25-ene-24-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O3/c1-20(2)24(34)10-9-21(3)23-13-15-30(8)26-12-11-25-28(5,6)27(35-22(4)33)14-16-31(25)19-32(26,31)18-17-29(23,30)7/h21,23,25-27H,1,9-19H2,2-8H3/t21-,23-,25+,26+,27+,29-,30+,31-,32+/m1/s1
InChIKey: InChIKey=WJXIXWWTQDCBEB-HDBHPBSHSA-N
Formula: C32H50O3
Molecular Weight: 482.738801
Exact Mass: 482.375995
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) | 31.68 |
| 2 (CH2) | 26.86 |
| 3 (CH) | 80.75 |
| 4 (C) | 39.51 |
| 5 (CH) | 47.24 |
| 6 (CH2) | 20.95 |
| 7 (CH2) | 28.11 |
| 8 (CH) | 47.81 |
| 9 (C) | 20.21 |
| 10 (C) | 26.1 |
| 11 (CH2) | 25.83 |
| 12 (CH2) | 35.56 |
| 13 (C) | 45.43 |
| 14 (C) | 48.9 |
| 15 (CH2) | 32.95 |
| 16 (CH2) | 26.56 |
| 17 (CH) | 52.3 |
| 18 (CH3) | 18.02 |
| 19 (CH2) | 29.76 |
| 20 (CH) | 35.92 |
| 21 (CH3) | 18.22 |
| 22 (CH2) | 34.77 |
| 23 (CH2) | 31.18 |
| 24 (C) | 182.24 |
| 25 (C) | 144.76 |
| 26 (CH2) | 124.05 |
| 27 (CH3) | 17.74 |
| 28 (CH3) | 19.33 |
| 29 (CH3) | 15.18 |
| 30 (CH3) | 25.47 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.32 |
