Spektraris NMR
30-nor-Pseudotaraxasteryl acetate
Common Name: 30-nor-Pseudotaraxasteryl acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H50O2/c1-20-10-9-15-28(5)18-19-30(7)22(26(20)28)11-12-24-29(6)16-14-25(33-21(2)32)27(3,4)23(29)13-17-31(24,30)8/h9-10,20,22-26H,11-19H2,1-8H3/t20-,22-,23+,24-,25+,26-,28-,29+,30-,31-/m1/s1
InChIKey: InChIKey=MEJDDGCMDQZTHG-IMLKFDJPSA-N
Formula: C31H50O2
Molecular Weight: 454.72866
Exact Mass: 454.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hen W., Watanabe K. Phytochemistry (1983) 22, 1457
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 38.5 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 81 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.2 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 28 |
| 13 (CH) | 39.3 |
| 14 (C) | 42.4 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 42.1 |
| 17 (C) | 34.4 |
| 18 (CH) | 47.8 |
| 19 (CH) | 32.5 |
| 20 (CH) | 135.1 |
| 21 (CH) | 122.2 |
| 22 (CH2) | 29.7 |
| 23 (CH3) | 28 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 14.5 |
| 28 (CH3) | 24.2 |
| 29 (CH3) | 17.8 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
