Spektraris NMR
(24RS)-3β-AcetoxycycIoart-25-en-24-ol
Common Name: (24RS)-3β-AcetoxycycIoart-25-en-24-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O3/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/h21,23-27,34H,1,9-19H2,2-8H3/t21-,23-,24?,25+,26+,27+,29-,30+,31-,32+/m1/s1
InChIKey: InChIKey=ZTMXADDWRQIMFF-IKSZURMRSA-N
Formula: C32H52O3
Molecular Weight: 484.754683
Exact Mass: 484.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Kimizuka, K., Tanaka, Y. Chem Pharm Bull (1998) 46, 1408-11
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) | 31.63 |
| 2 (CH2) | 26.51 |
| 3 (CH) | 80.65 |
| 4 (C) | 39.42 |
| 5 (CH) | 47.17 |
| 6 (CH2) | 20.19 |
| 7 (CH2) | 25.83 |
| 8 (CH) | 47.8 |
| 9 (C) | 20.13 |
| 10 (C) | 25.97 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 32.84 |
| 13 (C) | 45.27 |
| 14 (C) | 48.83 |
| 15 (CH2) | 35.52 |
| 16 (CH2) | 28.12 |
| 17 (CH) | 52.14 |
| 18 (CH3) | 17.98 |
| 19 (CH2) | 29.77 |
| 20 (CH) | 35.91 |
| 21 (CH3) | 18.32 |
| 22 (CH2) | 31.92 |
| 23 (CH2) | 31.63 |
| 24 (CH) | 76.75 |
| 25 (C) | 147.75 |
| 26 (CH3) | 17.64 |
| 27 (CH2) | 110.86 |
| 28 (CH3) | 25.44 |
| 29 (CH3) | 15.15 |
| 30 (CH3) | 19.3 |
| 3a (C) | 171.01 |
| 3b (CH3) | 21.35 |
