Spektraris NMR
12-Acetoxybeyer-15-ene-18-carboxy b-ylucopyranoside pentaacetate
Common Name: 12-Acetoxybeyer-15-ene-18-carboxy b-ylucopyranoside pentaacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C36H50O13/c1-19(37)43-17-24-28(45-21(3)39)29(46-22(4)40)30(47-23(5)41)31(48-24)49-32(42)35(8)12-9-11-34(7)25(35)10-13-36-15-14-33(6,18-36)27(16-26(34)36)44-20(2)38/h14-15,24-31H,9-13,16-18H2,1-8H3/t24-,25-,26-,27-,28-,29+,30-,31+,33+,34+,35-,36-/m1/s1
InChIKey: InChIKey=QSMMOASDQDTUTR-ZRAJBFPTSA-N
Formula: C36H50O13
Molecular Weight: 690.775794
Exact Mass: 690.325142
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lin, W.H., Fang, J.M., Cheng, Y.S. Phytochemistry (1998) 48, 1391-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Beyeranes; 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) | 35.9 |
| 2 (CH2) | 17.4 |
| 3 (CH2) | 37.8 |
| 4 (C) | 36.6 |
| 5 (CH) | 49.6 |
| 6 (CH2) | 22.3 |
| 7 (CH2) | 35.5 |
| 8 (C) | 47.1 |
| 9 (CH) | 51.5 |
| 10 (C) | 48.4 |
| 11 (CH2) | 26.5 |
| 12 (CH) | 76.2 |
| 13 (C) | 47.4 |
| 14 (CH2) | 58.1 |
| 15 (CH) | 136.8 |
| 16 (CH) | 134.2 |
| 17 (CH3) | 21.1 |
| 18 (C) | 176.7 |
| 19 (CH3) | 16.5 |
| 20 (CH3) | 15.1 |
| 1' (CH) | 91.7 |
| 2' (CH) | 70 |
| 3' (CH) | 72.4 |
| 4' (CH) | 68 |
| 5' (CH) | 72.7 |
| 6' (CH2) | 61.5 |
| 12a (C) | 169 |
| 12b (CH3) | 20.4 |
| 2'a (C) | 169.3 |
| 2'b (CH3) | 20.5 |
| 3'a (C) | 170 |
| 3'b (CH3) | 20.6 |
| 4'a (C) | 170.4 |
| 4'b (CH3) | 20.4 |
| 6'a (C) | 170.9 |
| 6'b (CH3) | 20.5 |
