Spektraris NMR
3α-O-[β-Apiosyl-(1-6)-β-glucopyranosyl]-(5'β,9'α,10α)-8, (12')-drimen-11'yl-umbelliferone
![3α-O-[β-Apiosyl-(1-6)-β-glucopyranosyl]-(5'β,9'α,10α)-8, (12')-drimen-11'yl-umbelliferone](/nmr/static/nmr/svg/17855.svg)
Common Name: 3α-O-[β-Apiosyl-(1-6)-β-glucopyranosyl]-(5'β,9'α,10α)-8, (12')-drimen-11'yl-umbelliferone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48O14/c1-17-11-21(37)29-33(2,3)24(9-10-34(29,4)20(17)13-44-19-7-5-18-6-8-25(38)47-22(18)12-19)49-31-28(41)27(40)26(39)23(48-31)14-45-32-30(42)35(43,15-36)16-46-32/h5-8,12,20-21,23-24,26-32,36-37,39-43H,1,9-11,13-16H2,2-4H3/t20-,21+,23-,24-,26-,27+,28-,29-,30+,31+,32-,34+,35-/m1/s1
InChIKey: InChIKey=VOUHCFIAAIDHES-DUBSNQBFSA-N
Formula: C35H48O14
Molecular Weight: 692.748582
Exact Mass: 692.304406
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Iranshahi, M., Mojarab, M., Sadeghian, H., Hanafi-Bojd, M.Y., Schneider, B. Phytochemistry (2008) 69, 473-8
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 38.6 |
| 2 (CH2) | 28.1 |
| 3 (CH) | 79.6 |
| 4 (C) | 40.9 |
| 5 (CH) | 59.2 |
| 6 (CH) | 76.6 |
| 7 (CH2) | 44 |
| 8 (C) | 145.3 |
| 9 (CH) | 55.8 |
| 10 (C) | 39.4 |
| 11 (CH2) | 67.1 |
| 12 (CH2) | 109.6 |
| 13 (CH3) | 31.4 |
| 14 (CH3) | 15.9 |
| 15 (CH3) | 17.2 |
| 2' (C) | 163.3 |
| 3' (CH) | 113.3 |
| 4' (CH) | 145.8 |
| 5' (CH) | 130.4 |
| 6' (CH) | 114.3 |
| 7' (C) | 163.9 |
| 8' (CH) | 101.3 |
| 9' (C) | 157.2 |
| 10' (C) | 114.2 |
| 1'' (CH) | 102.2 |
| 2'' (CH) | 76.5 |
| 3'' (CH) | 75.3 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 68.9 |
| 1''' (CH) | 110.9 |
| 2''' (CH) | 78 |
| 3''' (C) | 80.3 |
| 4''' (CH2) | 75.1 |
| 5''' (CH2) | 66 |
