Spektraris NMR
28-Norurs-12-ene-3beta,17beta-diol
Common Name: 28-Norurs-12-ene-3beta,17beta-diol
Synonyms: 28-Norurs-12-ene-3beta,17beta-diol
CAS Registry Number:
InChI: InChI=1S/C29H48O2/c1-18-10-15-29(31)17-16-27(6)20(24(29)19(18)2)8-9-22-26(5)13-12-23(30)25(3,4)21(26)11-14-28(22,27)7/h8,18-19,21-24,30-31H,9-17H2,1-7H3/t18-,19+,21+,22-,23+,24+,26+,27-,28-,29+/m1/s1
InChIKey: InChIKey=OHURLQYFJBUGGV-SQPCZADNSA-N
Formula: C29H48O2
Molecular Weight: 428.691307
Exact Mass: 428.365431
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Benyahia, S., Benayache, S., Benayache, F., Leon, F., Quintana, J., Lopez, M., Hernandez, J.C., Estevez, F., Bermejo, J. Phytochemistry (2005) 66, 627-32
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38.77 |
| 2 (CH2) | 27.24 |
| 3 (CH) | 79 |
| 4 (C) | 38.67 |
| 5 (CH) | 55.24 |
| 6 (CH2) | 18.32 |
| 7 (CH2) | 33.01 |
| 8 (C) | 39.84 |
| 9 (CH) | 47.62 |
| 10 (C) | 36.99 |
| 11 (CH2) | 23.58 |
| 12 (CH) | 127.8 |
| 13 (C) | 138 |
| 14 (C) | 41.88 |
| 15 (CH2) | 26 |
| 16 (CH2) | 28.44 |
| 17 (C) | 72.1 |
| 18 (CH) | 60.6 |
| 19 (CH) | 39.28 |
| 20 (CH) | 41.56 |
| 21 (CH2) | 32.33 |
| 22 (CH2) | 40.41 |
| 23 (CH3) | 28.16 |
| 24 (CH3) | 15.62 |
| 25 (CH3) | 20.7 |
| 26 (CH3) | 17.13 |
| 27 (CH3) | 23.05 |
| 29 (CH3) | 17.29 |
| 30 (CH3) | 15.49 |
