Spektraris NMR
(20S)-3beta-(alpha-L-Arabinopyranosyloxy)-20-hydroxydammara-24-ene-21,29-dioic acid 21-(beta-D-glucopyranosyl) ester
Common Name: (20S)-3beta-(alpha-L-Arabinopyranosyloxy)-20-hydroxydammara-24-ene-21,29-dioic acid 21-(beta-D-glucopyranosyl) ester
Synonyms: (20S)-3beta-(alpha-L-Arabinopyranosyloxy)-20-hydroxydammara-24-ene-21,29-dioic acid 21-(beta-D-glucopyranosyl) ester
CAS Registry Number:
InChI: InChI=1S/C41H66O15/c1-20(2)8-7-14-41(52,36(51)56-34-32(48)30(46)29(45)24(18-42)54-34)22-11-16-38(4)21(22)9-10-25-37(3)15-13-27(55-33-31(47)28(44)23(43)19-53-33)40(6,35(49)50)26(37)12-17-39(25,38)5/h8,21-34,42-48,52H,7,9-19H2,1-6H3,(H,49,50)/t21-,22+,23+,24-,25-,26-,27+,28+,29-,30+,31-,32-,33+,34+,37-,38-,39-,40-,41+/m1/s1
InChIKey: InChIKey=OUIJFXWXIXRNLB-IELVQRNHSA-N
Formula: C41H66O15
Molecular Weight: 798.955335
Exact Mass: 798.440171
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) | 40.3 |
| 2 (CH2) | 26.6 |
| 3 (CH) | 89.2 |
| 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) | 22.4 |
| 12 (CH2) | 24.7 |
| 13 (CH) | 41.8 |
| 14 (C) | 50.9 |
| 15 (CH2) | 31.5 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 49.4 |
| 18 (CH3) | 17 |
| 19 (CH3) | 14.9 |
| 20 (C) | 79.4 |
| 21 (C) | 177 |
| 22 (CH2) | 40.7 |
| 23 (CH2) | 23.6 |
| 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) | 16.1 |
| 1' (CH) | 107.4 |
| 2' (CH) | 74.4 |
| 3' (CH) | 79.4 |
| 4' (CH) | 68.7 |
| 5' (CH2) | 65.5 |
| 1'' (CH) | 97 |
| 2'' (CH) | 71.6 |
| 3'' (CH) | 78.9 |
| 4'' (CH) | 72.4 |
| 5'' (CH) | 79.4 |
| 6'' (CH2) | 62.9 |
