Spektraris NMR
(3b,22a)-3,22-Dihydroxytaraxast-20-en-30-al
Common Name: (3b,22a)-3,22-Dihydroxytaraxast-20-en-30-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-18-19(17-31)16-24(33)28(5)14-15-29(6)20(25(18)28)8-9-22-27(4)12-11-23(32)26(2,3)21(27)10-13-30(22,29)7/h16-18,20-25,32-33H,8-15H2,1-7H3/t18-,20-,21+,22-,23+,24+,25-,27+,28+,29-,30-/m1/s1
InChIKey: InChIKey=VPUGJHCMFDNBBF-BVNGBECZSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - He, X.F., Wang, X.N., Fan, C.Q., Gan, L.S., Yin, S., Yue, J.M. Helv Chim Acta (2007) 90, 783-91
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) | 79 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.3 |
| 6 (CH2) | 18.3 |
| 7 (CH2) | 34.2 |
| 8 (C) | 42.2 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 38.5 |
| 14 (C) | 41 |
| 15 (CH2) | 26.6 |
| 16 (CH2) | 29.5 |
| 17 (C) | 38.3 |
| 18 (CH) | 40.4 |
| 19 (CH) | 29.5 |
| 20 (C) | 150.1 |
| 21 (CH) | 145.5 |
| 22 (CH) | 72.9 |
| 23 (CH3) | 28 |
| 24 (CH3) | 15.4 |
| 25 (CH3) | 16.3 |
| 26 (CH3) | 16 |
| 27 (CH3) | 14.7 |
| 28 (CH3) | 17.9 |
| 29 (CH3) | 23.4 |
| 30 (CH) | 194.7 |
