Spektraris NMR
3b-Acetoxy-21a,22a-epoxytaraxastan-20a-ol
Common Name: 3b-Acetoxy-21a,22a-epoxytaraxastan-20a-ol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H52O4/c1-18-24-20-10-11-22-28(5)14-13-23(35-19(2)33)27(3,4)21(28)12-15-31(22,8)30(20,7)17-16-29(24,6)25-26(36-25)32(18,9)34/h18,20-26,34H,10-17H2,1-9H3/t18-,20+,21-,22+,23-,24-,25-,26+,28-,29+,30+,31+,32-/m0/s1
InChIKey: InChIKey=KVFUYWGBQZHPEY-KFPAJUENSA-N
Formula: C32H52O4
Molecular Weight: 500.754088
Exact Mass: 500.38656
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chiang, Y.M., Chang, J.Y., Kuo, C.C., Chang, C.Y., Kuo, Y.H. Phytochemistry (2005) 66, 495-501
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) | 38.2 |
| 2 (CH2) | 23.6 |
| 3 (CH) | 80.9 |
| 4 (C) | 37.7 |
| 5 (CH) | 55.2 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34 |
| 8 (C) | 41.2 |
| 9 (CH) | 49.8 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.3 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 37.3 |
| 14 (C) | 43.2 |
| 15 (CH2) | 26.1 |
| 16 (CH2) | 34 |
| 17 (C) | 35.9 |
| 18 (CH) | 37 |
| 19 (CH) | 40.2 |
| 20 (C) | 70.5 |
| 21 (CH) | 60.7 |
| 22 (CH) | 65.6 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.4 |
| 25 (CH3) | 16.2 |
| 26 (CH3) | 15.9 |
| 27 (CH3) | 15.5 |
| 28 (CH3) | 17.9 |
| 29 (CH3) | 17 |
| 30 (CH3) | 27.1 |
| 3a (C) | 171 |
| 3b (CH3) | 21.3 |
