Spektraris NMR
3alpha-Acetyloxylanosta-8,24-dien-21-oic acid methyl ester
Common Name: 3alpha-Acetyloxylanosta-8,24-dien-21-oic acid methyl ester
Synonyms: 3alpha-Acetyloxylanosta-8,24-dien-21-oic acid methyl ester
CAS Registry Number:
InChI: InChI=1S/C33H52O4/c1-21(2)11-10-12-23(29(35)36-9)24-15-19-33(8)26-13-14-27-30(4,5)28(37-22(3)34)17-18-31(27,6)25(26)16-20-32(24,33)7/h11,23-24,27-28H,10,12-20H2,1-9H3/t23-,24-,27+,28-,31-,32-,33+/m1/s1
InChIKey: InChIKey=CCYZTZASYMQPSV-YIWJKZFPSA-N
Formula: C33H52O4
Molecular Weight: 512.764824
Exact Mass: 512.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Keller, A.C., Maillard, M.P., Hostettmann, K. Phytochemistry (1996) 41, 1041-6
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) | 30.5 |
| 2 (CH2) | 23.3 |
| 3 (CH) | 78 |
| 4 (C) | 36.9 |
| 5 (CH) | 45.2 |
| 6 (CH2) | 18 |
| 7 (CH2) | 26 |
| 8 (C) | 134.5 |
| 9 (C) | 133.8 |
| 10 (C) | 36.7 |
| 11 (CH2) | 20.8 |
| 12 (CH2) | 28.7 |
| 13 (C) | 44.1 |
| 14 (C) | 49.4 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 27 |
| 17 (CH) | 47.8 |
| 18 (CH3) | 16 |
| 19 (CH3) | 18.9 |
| 20 (CH) | 47.3 |
| 21 (C) | 170.9 |
| 22 (CH2) | 32.6 |
| 23 (CH2) | 25.9 |
| 24 (CH) | 123.7 |
| 25 (C) | 132.1 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 21.9 |
| 30 (CH3) | 24.4 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
| 21a (CH3) | 51 |
