Spektraris NMR
3b,20e-Dihydroxy-epi-Y-taraxastane
Common Name: 3b,20e-Dihydroxy-epi-Y-taraxastane
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O2/c1-19-24-20-9-10-22-27(5)13-12-23(31)25(2,3)21(27)11-14-29(22,7)28(20,6)17-15-26(24,4)16-18-30(19,8)32/h19-24,31-32H,9-18H2,1-8H3/t19-,20?,21-,22+,23-,24+,26-,27-,28+,29+,30?/m0/s1
InChIKey: InChIKey=FDNWHCZIHBJRLP-WTSSZJAMSA-N
Formula: C30H52O2
Molecular Weight: 444.733806
Exact Mass: 444.396731
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu V., Ravi K., Prasad K.H., Connolly J.D. Phytochemistry (1989) 28, 1471
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) | 38.8 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 79 |
| 4 (C) | 38.3 |
| 5 (CH) | 55.1 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 34.4 |
| 8 (C) | 41.2 |
| 9 (CH) | 49.5 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 26.5 |
| 13 (CH) | 38.6 |
| 14 (C) | 42 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 40.2 |
| 17 (C) | 35.6 |
| 18 (CH) | 47.9 |
| 19 (CH) | 37.8 |
| 20 (C) | 75.3 |
| 21 (CH2) | 21.4 |
| 22 (CH2) | 43 |
| 23 (CH3) | 28 |
| 24 (CH3) | 14.7 |
| 25 (CH3) | 15.4 |
| 26 (CH3) | 16.1 |
| 27 (CH3) | 14.7 |
| 28 (CH3) | 28.5 |
| 29 (CH3) | 17.4 |
| 30 (CH3) | 27.4 |
