Spektraris NMR
20α,28-Epoxy-28R-methoxytaraxasteran-3α-ol
Common Name: 20α,28-Epoxy-28R-methoxytaraxasteran-3α-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H52O3/c1-19-24-20-9-10-22-27(4)13-12-23(32)26(2,3)21(27)11-14-29(22,6)28(20,5)15-17-31(24)18-16-30(19,7)34-25(31)33-8/h19-25,32H,9-18H2,1-8H3/t19-,20+,21-,22+,23-,24+,25-,27-,28+,29+,30+,31+/m0/s1
InChIKey: InChIKey=KODHIHGBCAPDKG-DDAKTQAMSA-N
Formula: C31H52O3
Molecular Weight: 472.743947
Exact Mass: 472.391646
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhao, M., Zhang, S., Fu, L., Li, N., Bai, J., Sakai, J., Wang, L., Tang, W., Hasegawa, T., Ogura, H., Kataoka, T., Oka, S., Kiuch, M., Hirose, K., Ando, M. J Nat Prod (2006) 69, 1164-7
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) | 38.8 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 78.9 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 33.8 |
| 8 (C) | 40.8 |
| 9 (CH) | 50.8 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 25.1 |
| 13 (CH) | 39.3 |
| 14 (C) | 41.3 |
| 15 (CH2) | 26.3 |
| 16 (CH2) | 27.7 |
| 17 (C) | 35.2 |
| 18 (CH) | 48.6 |
| 19 (CH) | 42.6 |
| 20 (C) | 73.9 |
| 21 (CH2) | 27.4 |
| 22 (CH2) | 28.8 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 15.7 |
| 27 (CH3) | 14.6 |
| 28 (CH) | 100.2 |
| 29 (CH3) | 20.1 |
| 30 (CH3) | 25 |
| 28a (CH3) | 55.2 |
