Spektraris NMR
(23S)-23-Methoxy-24-methylenelanost-8-en-3-one
Common Name: (23S)-23-Methoxy-24-methylenelanost-8-en-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-20(2)22(4)26(34-10)19-21(3)23-13-17-32(9)25-11-12-27-29(5,6)28(33)15-16-30(27,7)24(25)14-18-31(23,32)8/h20-21,23,26-27H,4,11-19H2,1-3,5-10H3/t21-,23-,26?,27+,30-,31-,32+/m1/s1
InChIKey: InChIKey=OQVOTEHDKNAAKW-NOHVKBCJSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Su, H.J., Wang, L.W., Lin, C.N., Day, S.H., Wei, B.L., Yang, S.Z., Won, S.J. Helv Chim Acta (2003) 86, 2645-52
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) | 36 |
| 2 (CH2) | 34.6 |
| 3 (C) | 217.9 |
| 4 (C) | 47.4 |
| 5 (CH) | 51.2 |
| 6 (CH2) | 19.4 |
| 7 (CH2) | 28.3 |
| 8 (C) | 133.1 |
| 9 (C) | 135.4 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 26.9 |
| 13 (C) | 44.6 |
| 14 (C) | 50 |
| 15 (CH2) | 31.1 |
| 16 (CH2) | 30.9 |
| 17 (CH) | 51.1 |
| 18 (CH3) | 16 |
| 19 (CH3) | 21.3 |
| 20 (CH) | 33.4 |
| 21 (CH3) | 18.6 |
| 22 (CH2) | 43.1 |
| 23 (CH) | 81.6 |
| 24 (C) | 156.6 |
| 25 (CH) | 30 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 23.5 |
| 28 (CH3) | 26.2 |
| 29 (CH3) | 18.7 |
| 30 (CH3) | 24.3 |
| 23a (CH3) | 56.4 |
| 24a (CH2) | 107.4 |
