Spektraris NMR
2,3,4,6-Tetra-O-acetyl- b-D-glucopyranosyl-3-oxolupan-28-oate (16).
Common Name: 2,3,4,6-Tetra-O-acetyl- b-D-glucopyranosyl-3-oxolupan-28-oate (16).
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C44H66O12/c1-23(2)28-14-19-44(39(50)56-38-37(54-27(6)48)36(53-26(5)47)35(52-25(4)46)30(55-38)22-51-24(3)45)21-20-42(10)29(34(28)44)12-13-32-41(9)17-16-33(49)40(7,8)31(41)15-18-43(32,42)11/h23,28-32,34-38H,12-22H2,1-11H3/t28-,29+,30+,31-,32+,34+,35+,36-,37+,38-,41-,42+,43+,44-/m0/s1
InChIKey: InChIKey=ZHVGIZZAPVZMIZ-HHSXUFKHSA-N
Formula: C44H66O12
Molecular Weight: 786.989328
Exact Mass: 786.455428
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Samoshina, N.F., Denisenko, M.V., Denisenko, V.A., Uvarova, N.I. Chem Nat Compd (2003) 39, 575-82
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 39.6 |
| 2 (CH2) | 34.2 |
| 3 (C) | 218 |
| 4 (C) | 47.4 |
| 5 (CH) | 55 |
| 6 (CH2) | 19.7 |
| 7 (CH2) | 33.8 |
| 8 (C) | 40.7 |
| 9 (CH) | 49.7 |
| 10 (C) | 36.9 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 26.9 |
| 13 (CH) | 38.2 |
| 14 (C) | 42.7 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 22.6 |
| 17 (C) | 57.2 |
| 18 (CH) | 48.6 |
| 19 (CH) | 44.1 |
| 20 (CH) | 29.8 |
| 21 (CH2) | 29.7 |
| 22 (CH2) | 36.9 |
| 23 (CH3) | 26.7 |
| 24 (CH3) | 21.1 |
| 25 (CH3) | 20.2 |
| 26 (CH3) | 20.2 |
| 27 (CH3) | 20.2 |
| 28 (C) | 174.5 |
| 29 (CH3) | 15 |
| 30 (CH3) | 15.1 |
| 1' (CH) | 91.1 |
| 2' (CH) | 70 |
| 3' (CH) | 72.6 |
| 4' (CH) | 68.1 |
| 5' (CH) | 73 |
| 6' (CH2) | 61.6 |
| 2'a (C) | 170.6 |
| 2'b (CH3) | 20.7 |
| 3'a (C) | 170.2 |
| 3'b (CH3) | 20.6 |
| 4'a (C) | 169.5 |
| 4'b (CH3) | 20.6 |
| 6'a (C) | 169 |
| 6'b (CH3) | 20.6 |
