Spektraris NMR
(20S,23S,24R)-3beta-(2-O-beta-D-Glucopyranosyl-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-20,25-epoxydammarane-12beta,23,24-triol
Common Name: (20S,23S,24R)-3beta-(2-O-beta-D-Glucopyranosyl-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-20,25-epoxydammarane-12beta,23,24-triol
Synonyms: (20S,23S,24R)-3beta-(2-O-beta-D-Glucopyranosyl-6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)-20,25-epoxydammarane-12beta,23,24-triol
CAS Registry Number:
InChI: InChI=1S/C47H80O19/c1-42(2)26-10-14-45(6)27(15-21(49)29-20(9-13-46(29,45)7)47(8)16-22(50)38(59)43(3,4)66-47)44(26,5)12-11-28(42)64-41-37(65-40-36(58)33(55)31(53)24(17-48)62-40)34(56)32(54)25(63-41)19-61-39-35(57)30(52)23(51)18-60-39/h20-41,48-59H,9-19H2,1-8H3/t20-,21+,22-,23+,24+,25+,26-,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38+,39-,40-,41-,44-,45+,46+,47-/m0/s1
InChIKey: InChIKey=OBXAJENMBYFCHV-MGQGIKOVSA-N
Formula: C47H80O19
Molecular Weight: 949.128541
Exact Mass: 948.52938
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yin, F., Hu, L., Lou, F., Pan, R. J Nat Prod (2004) 67, 942-52
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) | 39.3 |
| 2 (CH2) | 26.9 |
| 3 (CH) | 89.3 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.2 |
| 9 (CH) | 50.5 |
| 10 (C) | 37.1 |
| 11 (CH2) | 31.9 |
| 12 (CH) | 70.6 |
| 13 (CH) | 49.5 |
| 14 (C) | 52.4 |
| 15 (CH2) | 32.2 |
| 16 (CH2) | 27.9 |
| 17 (CH) | 52.6 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 16.6 |
| 20 (C) | 79.5 |
| 21 (CH3) | 27.7 |
| 22 (CH2) | 37.4 |
| 23 (CH) | 67.3 |
| 24 (CH) | 81.1 |
| 25 (C) | 79.3 |
| 26 (CH3) | 24.8 |
| 27 (CH3) | 30.5 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 16.7 |
| 30 (CH3) | 18 |
| 1' (CH) | 105.1 |
| 2' (CH) | 83.4 |
| 3' (CH) | 78.3 |
| 4' (CH) | 71.2 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 70.1 |
| 1'' (CH) | 106.1 |
| 2'' (CH) | 76.7 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 78.2 |
| 6'' (CH2) | 62.9 |
| 1''' (CH) | 106 |
| 2''' (CH) | 74.9 |
| 3''' (CH) | 77.1 |
| 4''' (CH) | 71.5 |
| 5''' (CH2) | 67.2 |
