Spektraris NMR
(24RS)-Cycloart-25-en-3β,24-diol
Common Name: (24RS)-Cycloart-25-en-3β,24-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19(2)22(31)9-8-20(3)21-12-14-28(7)24-11-10-23-26(4,5)25(32)13-15-29(23)18-30(24,29)17-16-27(21,28)6/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22?,23+,24+,25+,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=MHGLNDDJLDJDBG-GSYFYXRESA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
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) | 31.97 |
| 2 (CH2) | 30.37 |
| 3 (CH) | 78.85 |
| 4 (C) | 40.49 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 21.12 |
| 7 (CH2) | 26.01 |
| 8 (CH) | 47.99 |
| 9 (C) | 19.98 |
| 10 (C) | 26.07 |
| 11 (CH2) | 26.46 |
| 12 (CH2) | 32.88 |
| 13 (C) | 45.28 |
| 14 (C) | 48.8 |
| 15 (CH2) | 35.55 |
| 16 (CH2) | 28.09 |
| 17 (CH) | 52.17 |
| 18 (CH3) | 18.04 |
| 19 (CH2) | 29.9 |
| 20 (CH) | 35.91 |
| 21 (CH3) | 18.33 |
| 22 (CH2) | 31.9 |
| 23 (CH2) | 31.64 |
| 24 (CH) | 76.36 |
| 25 (C) | 147.47 |
| 26 (CH3) | 17.61 |
| 27 (CH2) | 110.91 |
| 28 (CH3) | 25.44 |
| 29 (CH3) | 14.01 |
| 30 (CH3) | 19.32 |
