Spektraris NMR
Glyuranolide
Common Name: Glyuranolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H44O6/c1-26(2)20-8-11-30(6)23(29(20,5)10-9-21(26)33)19(32)14-17-18-15-27(3)16-22(37-24(27)34)28(18,4)12-13-31(17,30)25(35)36-7/h14,18,20-23,33H,8-13,15-16H2,1-7H3/t18-,20-,21-,22-,23+,27-,28+,29-,30+,31+/m0/s1
InChIKey: InChIKey=MKDSBDQLSLPNOQ-ADTJVYGVSA-N
Formula: C31H44O6
Molecular Weight: 512.678636
Exact Mass: 512.313789
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jia Q., Wang B., Shu Y.H., Zhang R.Y., Gao G.Y., Qiao L., Pang J.H. Acta Pharmaceutica Sinica (1989) 24, 348
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 39.1 |
| 2 (CH2) | 27.2 |
| 3 (CH) | 78.6 |
| 4 (C) | 39.1 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 17.5 |
| 7 (CH2) | 33 |
| 8 (C) | 45 |
| 9 (CH) | 61.8 |
| 10 (C) | 37.2 |
| 11 (C) | 199.2 |
| 12 (CH) | 130.3 |
| 13 (C) | 162.9 |
| 14 (C) | 52.2 |
| 15 (CH2) | 26 |
| 16 (CH2) | 24.9 |
| 17 (C) | 35.8 |
| 18 (CH) | 43.8 |
| 19 (CH2) | 35.1 |
| 20 (C) | 44.2 |
| 21 (CH2) | 35.5 |
| 22 (CH) | 84.8 |
| 23 (CH3) | 28.1 |
| 24 (CH3) | 15.6 |
| 25 (CH3) | 16.4 |
| 26 (CH3) | 18.7 |
| 27 (C) | 169.2 |
| 28 (CH3) | 22.5 |
| 29 (C) | 173.1 |
| 30 (CH3) | 23.6 |
| 27a (CH3) | 53 |
