Spektraris NMR
(24S)-24-Methyl-24,25-methanolanosta-9(11)-ene-3beta-ol
Common Name: (24S)-24-Methyl-24,25-methanolanosta-9(11)-ene-3beta-ol
Synonyms: (24S)-24-Methyl-24,25-methanolanosta-9(11)-ene-3beta-ol
CAS Registry Number:
InChI: InChI=1S/C32H54O/c1-21(12-16-29(6)20-27(29,2)3)22-13-18-32(9)24-10-11-25-28(4,5)26(33)15-17-30(25,7)23(24)14-19-31(22,32)8/h14,21-22,24-26,33H,10-13,15-20H2,1-9H3/t21-,22-,24-,25+,26+,29+,30-,31-,32+/m1/s1
InChIKey: InChIKey=JKDGXJHCLDXVBT-AYIUFDCQSA-N
Formula: C32H54O1
Molecular Weight: 454.771754
Exact Mass: 454.417466
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Inada, A., Ikeda, Y., Murata, H., Inatomi, Y., Nakanishi, T., Bhattacharyya, K., Kar, T., Bocelli, G., Cantoni, A. Phytochemistry (2005) 66, 2729-33
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cyclolanostanes; 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) | 36.1 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 78.9 |
| 4 (C) | 39.1 |
| 5 (CH) | 52.5 |
| 6 (CH2) | 21.4 |
| 7 (CH2) | 28.1 |
| 8 (CH) | 41.8 |
| 9 (C) | 148.5 |
| 10 (C) | 39.4 |
| 11 (CH) | 115 |
| 12 (CH2) | 37.1 |
| 13 (C) | 44.3 |
| 14 (C) | 47 |
| 15 (CH2) | 33.9 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 51 |
| 18 (CH3) | 14.4 |
| 19 (CH3) | 22.3 |
| 20 (CH) | 36.6 |
| 21 (CH3) | 18.5 |
| 22 (CH2) | 33.5 |
| 23 (CH2) | 33.6 |
| 24 (C) | 23.6 |
| 25 (C) | 19.8 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 22.8 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 15.7 |
| 30 (CH3) | 18.5 |
| 24a (CH3) | 19.6 |
| 25a (CH2) | 27.1 |
