Spektraris NMR
Y-Taraxasteryl acetate (pseudotaraxasteryl acetate)
Common Name: Y-Taraxasteryl acetate (pseudotaraxasteryl acetate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O2/c1-20-12-15-29(6)18-19-31(8)23(27(29)21(20)2)10-11-25-30(7)16-14-26(34-22(3)33)28(4,5)24(30)13-17-32(25,31)9/h12,21,23-27H,10-11,13-19H2,1-9H3/t21-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1
InChIKey: InChIKey=DYTVUYVLJDSMFA-ZHLOSDGBSA-N
Formula: C32H52O2
Molecular Weight: 468.755278
Exact Mass: 468.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Majumder P.L., Laha S. J Indian Chem (1982) 59, 881
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) | 38.4 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 80.8 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41 |
| 9 (CH) | 50.2 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 39.1 |
| 14 (C) | 42.1 |
| 15 (CH2) | 27.5 |
| 16 (CH2) | 36.2 |
| 17 (C) | 34.1 |
| 18 (CH) | 48.6 |
| 19 (CH) | 42.2 |
| 20 (C) | 139.6 |
| 21 (CH) | 118.8 |
| 22 (CH2) | 36.6 |
| 23 (CH3) | 27.8 |
| 24 (CH3) | 16.2 |
| 25 (CH3) | 15.9 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 14.6 |
| 28 (CH3) | 21.6 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 22.4 |
| 3a (C) | 170.6 |
| 3b (CH3) | 21.3 |
