Spektraris NMR
25-Methoxylanosta-8,23-diene-3beta-ol acetate
Common Name: 25-Methoxylanosta-8,23-diene-3beta-ol acetate
Synonyms: 25-Methoxylanosta-8,23-diene-3beta-ol acetate
CAS Registry Number:
InChI: InChI=1S/C33H54O3/c1-22(12-11-18-29(3,4)35-10)24-15-20-33(9)26-13-14-27-30(5,6)28(36-23(2)34)17-19-31(27,7)25(26)16-21-32(24,33)8/h11,18,22,24,27-28H,12-17,19-21H2,1-10H3/b18-11+/t22-,24-,27+,28+,31-,32-,33+/m1/s1
InChIKey: InChIKey=MRPFDWFASMKBQZ-NZQFOQLFSA-N
Formula: C33H54O3
Molecular Weight: 498.7813
Exact Mass: 498.407296
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chiang, Y.M., Chang, J.Y., Kuo, C.C., Chang, C.Y., Kuo, Y.H. Phytochemistry (2005) 66, 495-501
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) | 35.2 |
| 2 (CH2) | 24.1 |
| 3 (CH) | 80.8 |
| 4 (C) | 37.7 |
| 5 (CH) | 50.5 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 26.3 |
| 8 (C) | 134.4 |
| 9 (C) | 134.3 |
| 10 (C) | 36.9 |
| 11 (CH2) | 20.9 |
| 12 (CH2) | 30.9 |
| 13 (C) | 44.4 |
| 14 (C) | 49.8 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 28.1 |
| 17 (CH) | 50 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 19.1 |
| 20 (CH) | 36.6 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 39.3 |
| 23 (CH) | 128.6 |
| 24 (CH) | 136.7 |
| 25 (C) | 74.8 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 26.1 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 24.2 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.2 |
| 25a (CH3) | 50.2 |
