Spektraris NMR
3b-Acetoxytaraxaster-20-en-30-al
Common Name: 3b-Acetoxytaraxaster-20-en-30-al
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C32H50O3/c1-20-22(19-33)11-14-29(5)17-18-31(7)23(27(20)29)9-10-25-30(6)15-13-26(35-21(2)34)28(3,4)24(30)12-16-32(25,31)8/h11,19-20,23-27H,9-10,12-18H2,1-8H3/t20-,23-,24+,25-,26+,27-,29-,30+,31-,32-/m1/s1
InChIKey: InChIKey=CXBKIDKNBGHPIU-RQDVQWIDSA-N
Formula: C32H50O3
Molecular Weight: 482.738801
Exact Mass: 482.375995
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herz W., Kulanthaivel P. Phytochemistry (1983) 22, 513
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) | 38.5 |
| 2 (CH2) | 23.7 |
| 3 (CH) | 81 |
| 4 (C) | 37.8 |
| 5 (CH) | 55.4 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.2 |
| 8 (C) | 41.1 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.1 |
| 11 (CH2) | 21.5 |
| 12 (CH2) | 27.3 |
| 13 (CH) | 39.1 |
| 14 (C) | 42.3 |
| 15 (CH2) | 26.9 |
| 16 (CH2) | 43 |
| 17 (C) | 34.8 |
| 18 (CH) | 48.3 |
| 19 (CH) | 29.4 |
| 20 (C) | 148.5 |
| 21 (CH) | 149 |
| 22 (CH2) | 36.5 |
| 23 (CH3) | 27.9 |
| 24 (CH3) | 16.5 |
| 25 (CH3) | 16 |
| 26 (CH3) | 16.3 |
| 27 (CH3) | 14.7 |
| 28 (CH3) | 23.2 |
| 29 (CH3) | 17.5 |
| 30 (CH) | 193.9 |
| 3a (C) | 170.9 |
| 3b (CH3) | 21.3 |
