Spektraris NMR
(24S)-24-Methyl-25,32-cyclo-cycloartane-3b-ol
Common Name: (24S)-24-Methyl-25,32-cyclo-cycloartane-3b-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H54O/c1-21(11-14-28(6)19-26(28,2)3)22-12-15-30(8)24-10-9-23-27(4,5)25(33)13-16-31(23)20-32(24,31)18-17-29(22,30)7/h21-25,33H,9-20H2,1-8H3/t21-,22-,23+,24+,25+,28+,29-,30+,31-,32+/m1/s1
InChIKey: InChIKey=BDHDSDLWBFWHLX-YQAYLHCKSA-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) | 32 |
| 2 (CH2) | 30.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 40.5 |
| 5 (CH) | 47.1 |
| 6 (CH2) | 21.1 |
| 7 (CH2) | 26 |
| 8 (CH) | 48 |
| 9 (C) | 20 |
| 10 (C) | 26.1 |
| 11 (CH2) | 26.5 |
| 12 (CH2) | 32.9 |
| 13 (C) | 45.3 |
| 14 (C) | 48.8 |
| 15 (CH2) | 35.6 |
| 16 (CH2) | 28.2 |
| 17 (CH) | 52.4 |
| 18 (CH3) | 18 |
| 19 (CH2) | 29.9 |
| 20 (CH) | 36.6 |
| 21 (CH3) | 18.4 |
| 22 (CH2) | 33.6 |
| 23 (CH2) | 33.6 |
| 24 (C) | 23.6 |
| 25 (C) | 19.8 |
| 26 (CH3) | 22.4 |
| 27 (CH3) | 22.8 |
| 28 (CH3) | 25.5 |
| 29 (CH3) | 14 |
| 30 (CH3) | 19.3 |
| 24a (CH3) | 19.6 |
| 25a (CH2) | 27.2 |
