Spektraris NMR
Norviscoside Heptaacetate
Common Name: Norviscoside Heptaacetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C49H66O19/c1-24(50)60-22-33-36(63-27(4)53)37(64-28(5)54)38(65-29(6)55)41(67-33)68-43(59)49-21-32(62-26(3)52)39(57)45(10,23-61-25(2)51)34(49)15-16-47(12)35(49)14-13-31-40(66-30(7)56)48(20-18-46(31,47)11)19-17-44(8,9)42(48)58/h13,32-38,40-41H,14-23H2,1-12H3/t32-,33-,34+,35+,36-,37+,38-,40-,41+,45+,46-,47-,48-,49-/m1/s1
InChIKey: InChIKey=VGBGKRXBOPEBBZ-PIZVUWCWSA-N
Formula: C49H66O19
Molecular Weight: 959.038842
Exact Mass: 958.41983
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Calis, I., Kirmizibekmez, H., Tasdemir, D., Ruedi, P. Helv Chim Acta (2004) 87, 611-9
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) | 42.3 |
| 2 (CH) | 71.2 |
| 3 (C) | 204 |
| 4 (C) | 52 |
| 5 (CH) | 45.9 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 33.5 |
| 8 (C) | 44.9 |
| 9 (CH) | 49.4 |
| 10 (C) | 48 |
| 11 (CH2) | 24.9 |
| 12 (CH) | 119.9 |
| 13 (C) | 137.3 |
| 14 (C) | 40.1 |
| 15 (CH2) | 26.5 |
| 16 (CH2) | 29.5 |
| 17 (C) | 56 |
| 18 (CH) | 74.5 |
| 19 (C) | 224 |
| 20 (C) | 45.8 |
| 21 (CH2) | 35.5 |
| 22 (CH2) | 24.1 |
| 23 (CH2) | 64.9 |
| 24 (CH3) | 17.8 |
| 25 (C) | 173.2 |
| 26 (CH3) | 16.2 |
| 27 (CH3) | 22.6 |
| 29 (CH3) | 23.9 |
| 30 (CH3) | 25.1 |
| 1' (CH) | 91.7 |
| 2' (CH) | 70 |
| 3' (CH) | 73 |
| 4' (CH) | 68.3 |
| 5' (CH) | 72.9 |
| 6' (CH2) | 61.9 |
| 2a (C) | 173.19 |
| 2b (CH3) | 21.01 |
| 18a (C) | 170.75 |
| 18b (CH3) | 20.96 |
| 23a (C) | 170.67 |
| 23b (CH3) | 20.89 |
| 2'a (C) | 170.37 |
| 2'b (CH3) | 20.84 |
| 3'a (C) | 169.3 |
| 3'b (CH3) | 20.79 |
| 4'a (C) | 169.08 |
| 4'b (CH3) | 20.74 |
| 6'a (C) | 168.9 |
| 6'b (CH3) | 20.68 |
