Spektraris NMR
Taraxast-20-ene-3b,30-diol
Common Name: Taraxast-20-ene-3b,30-diol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O2/c1-19-20(18-31)10-13-27(4)16-17-29(6)21(25(19)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h10,19,21-25,31-32H,8-9,11-18H2,1-7H3/t19-,21-,22+,23-,24+,25+,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=XWMZFWRQXGPSQQ-FFTRQBFASA-N
Formula: C30H50O2
Molecular Weight: 442.717924
Exact Mass: 442.381081
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dai, J., Zhao, C., Zhang, Q., Liu, Z.L., Zheng, R., Yang, L. Phytochemistry (2001) 58, 1107-11
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Taraxastanes; 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) | 38.7 |
| 2 (CH2) | 27.6 |
| 3 (CH) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.6 |
| 12 (CH2) | 27 |
| 13 (CH) | 39.2 |
| 14 (C) | 42.4 |
| 15 (CH2) | 27.4 |
| 16 (CH2) | 36.7 |
| 17 (C) | 34.5 |
| 18 (CH) | 48.5 |
| 19 (CH) | 32 |
| 20 (C) | 143.7 |
| 21 (CH) | 120.7 |
| 22 (CH2) | 41.7 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.8 |
| 28 (CH3) | 17.7 |
| 29 (CH3) | 22.5 |
| 30 (CH2) | 65.5 |
