Spektraris NMR
(20S)-3beta-[3-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyloxy]-20-hydroxydammara-24-ene-21,29-dioic acid 21-(beta-D-glucopyranosyl) ester
![(20S)-3beta-[3-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyloxy]-20-hydroxydammara-24-ene-21,29-dioic acid 21-(beta-D-glucopyranosyl) ester](/nmr/static/nmr/svg/16555.svg)
Common Name: (20S)-3beta-[3-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyloxy]-20-hydroxydammara-24-ene-21,29-dioic acid 21-(beta-D-glucopyranosyl) ester
Synonyms: (20S)-3beta-[3-O-(beta-D-Glucopyranosyl)-alpha-L-arabinopyranosyloxy]-20-hydroxydammara-24-ene-21,29-dioic acid 21-(beta-D-glucopyranosyl) ester
CAS Registry Number:
InChI: InChI=1S/C47H76O20/c1-21(2)8-7-14-47(61,42(60)67-40-35(56)33(54)31(52)26(19-49)64-40)23-11-16-44(4)22(23)9-10-27-43(3)15-13-29(46(6,41(58)59)28(43)12-17-45(27,44)5)65-38-36(57)37(24(50)20-62-38)66-39-34(55)32(53)30(51)25(18-48)63-39/h8,22-40,48-57,61H,7,9-20H2,1-6H3,(H,58,59)/t22-,23+,24+,25-,26-,27-,28-,29+,30-,31-,32+,33+,34-,35-,36-,37+,38+,39+,40+,43-,44-,45-,46-,47+/m1/s1
InChIKey: InChIKey=ZYGJUKABQBSPEJ-SVLANERVSA-N
Formula: C47H76O20
Molecular Weight: 961.096183
Exact Mass: 960.492995
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yang, Z., Chen, Q., Hu, L. Phytochemistry (2007) 68, 1752-61
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Dammaranes; 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) | 40.2 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 89.1 |
| 4 (C) | 50.3 |
| 5 (CH) | 57.9 |
| 6 (CH2) | 21 |
| 7 (CH2) | 36.4 |
| 8 (C) | 41 |
| 9 (CH) | 51.2 |
| 10 (C) | 38.1 |
| 11 (CH2) | 22.6 |
| 12 (CH2) | 24.5 |
| 13 (CH) | 41.8 |
| 14 (C) | 50.7 |
| 15 (CH2) | 31.2 |
| 16 (CH2) | 27.8 |
| 17 (CH) | 49.3 |
| 18 (CH3) | 17 |
| 19 (CH3) | 15 |
| 20 (C) | 79.6 |
| 21 (C) | 176.5 |
| 22 (CH2) | 40.3 |
| 23 (CH2) | 23.5 |
| 24 (CH) | 125.7 |
| 25 (C) | 132 |
| 26 (CH3) | 26.3 |
| 27 (CH3) | 18.3 |
| 28 (CH3) | 24.9 |
| 29 (C) | 178.1 |
| 30 (CH3) | 16.4 |
| 1' (CH) | 107.3 |
| 2' (CH) | 74.4 |
| 3' (CH) | 80.8 |
| 4' (CH) | 68.6 |
| 5' (CH2) | 65.5 |
| 1'' (CH) | 105.6 |
| 2'' (CH) | 75.8 |
| 3'' (CH) | 78.7 |
| 4'' (CH) | 71 |
| 5'' (CH) | 78.7 |
| 6'' (CH2) | 63.5 |
| 1''' (CH) | 94.7 |
| 2''' (CH) | 71 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 72.4 |
| 5''' (CH) | 79.5 |
| 6''' (CH2) | 62.6 |
