Spektraris NMR
3beta-Hydroxy-24-methylenelanosta-8-ene-7,11-dione
Common Name: 3beta-Hydroxy-24-methylenelanosta-8-ene-7,11-dione
Synonyms: 3beta-Hydroxy-24-methylenelanosta-8-ene-7,11-dione
CAS Registry Number:
InChI: InChI=1S/C31H48O3/c1-18(2)19(3)10-11-20(4)21-12-15-30(8)27-22(32)16-24-28(5,6)25(34)13-14-29(24,7)26(27)23(33)17-31(21,30)9/h18,20-21,24-25,34H,3,10-17H2,1-2,4-9H3/t20-,21-,24+,25+,29+,30+,31-/m1/s1
InChIKey: InChIKey=FKQMFMWKIVNCAI-AQNKCHCRSA-N
Formula: C31H48O3
Molecular Weight: 468.712184
Exact Mass: 468.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lu, Z.Q., Chen, G.T., Zhang, J.Q., Huang, H.L., Guan, S.H., Guo, D.A. Helv Chim Acta (2007) 90, 2245-50
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lanostanes; 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) | 34.1 |
| 2 (CH2) | 27.7 |
| 3 (CH) | 77.7 |
| 4 (C) | 38.8 |
| 5 (CH) | 50.2 |
| 6 (CH2) | 36.4 |
| 7 (C) | 202.2 |
| 8 (C) | 150.7 |
| 9 (C) | 151.8 |
| 10 (C) | 39.8 |
| 11 (C) | 202.4 |
| 12 (CH2) | 51.7 |
| 13 (C) | 48.9 |
| 14 (C) | 47.4 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 27.4 |
| 17 (CH) | 49.1 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 17.6 |
| 20 (CH) | 36.2 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 34.8 |
| 23 (CH2) | 31.2 |
| 24 (C) | 156.5 |
| 25 (CH) | 33.8 |
| 26 (CH3) | 22 |
| 27 (CH3) | 21.9 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 15.5 |
| 30 (CH3) | 25.9 |
| 24a (CH2) | 106.2 |
