Spektraris NMR
2,3,4,6-Tetra-O-acetyl- b-D-glucopyranosyl-3,20-dioxo-30-norlupan-28-oate
Common Name: 2,3,4,6-Tetra-O-acetyl- b-D-glucopyranosyl-3,20-dioxo-30-norlupan-28-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H62O13/c1-22(44)27-13-18-43(38(50)56-37-36(54-26(5)48)35(53-25(4)47)34(52-24(3)46)29(55-37)21-51-23(2)45)20-19-41(9)28(33(27)43)11-12-31-40(8)16-15-32(49)39(6,7)30(40)14-17-42(31,41)10/h27-31,33-37H,11-21H2,1-10H3/t27-,28+,29+,30-,31+,33+,34+,35-,36+,37-,40-,41+,42+,43-/m0/s1
InChIKey: InChIKey=JVTDGDGHSLBODQ-HZRNXEDRSA-N
Formula: C43H62O13
Molecular Weight: 786.946234
Exact Mass: 786.419042
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) | 39.4 |
| 2 (CH2) | 34 |
| 3 (C) | 217.8 |
| 4 (C) | 47.2 |
| 5 (CH) | 54.7 |
| 6 (CH2) | 19.6 |
| 7 (CH2) | 33.5 |
| 8 (C) | 40.5 |
| 9 (CH) | 49.7 |
| 10 (C) | 36.8 |
| 11 (CH2) | 21.4 |
| 12 (CH2) | 27.2 |
| 13 (CH) | 37.3 |
| 14 (C) | 42.3 |
| 15 (CH2) | 31 |
| 16 (CH2) | 28 |
| 17 (C) | 56.6 |
| 18 (CH) | 48.6 |
| 19 (CH) | 50.5 |
| 20 (C) | 211.6 |
| 21 (CH2) | 29.6 |
| 22 (CH2) | 36.1 |
| 23 (CH3) | 26.6 |
| 24 (CH3) | 21 |
| 25 (CH3) | 16 |
| 26 (CH3) | 15.6 |
| 27 (CH3) | 14.6 |
| 28 (C) | 174.1 |
| 29 (CH3) | 30.1 |
| 1' (CH) | 91.2 |
| 2' (CH) | 69.8 |
| 3' (CH) | 72.7 |
| 4' (CH) | 67.8 |
| 5' (CH) | 72.5 |
| 6' (CH2) | 61.4 |
| 2'a (C) | 170.4 |
| 2'b (CH3) | 20.6 |
| 3'a (C) | 170.1 |
| 3'b (CH3) | 20.5 |
| 4'a (C) | 168.9 |
| 4'b (CH3) | 20.5 |
| 6'a (C) | 169.3 |
| 6'b (CH3) | 20.5 |
