Spektraris NMR
(20S,23S,24R)-3beta-(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyloxy)-20,25-epoxydammarane-12beta,23,24-triol
Common Name: (20S,23S,24R)-3beta-(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyloxy)-20,25-epoxydammarane-12beta,23,24-triol
Synonyms: (20S,23S,24R)-3beta-(2-O-beta-D-Xylopyranosyl-beta-D-glucopyranosyloxy)-20,25-epoxydammarane-12beta,23,24-triol
CAS Registry Number:
InChI: InChI=1S/C41H70O14/c1-36(2)24-10-14-39(6)25(15-20(43)27-19(9-13-40(27,39)7)41(8)16-21(44)33(50)37(3,4)55-41)38(24,5)12-11-26(36)53-35-32(30(48)29(47)23(17-42)52-35)54-34-31(49)28(46)22(45)18-51-34/h19-35,42-50H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,24-,25+,26-,27-,28-,29+,30-,31+,32+,33+,34-,35-,38-,39+,40+,41-/m0/s1
InChIKey: InChIKey=WWEXTVPYKGAYFK-CCYMNORKSA-N
Formula: C41H70O14
Molecular Weight: 786.987694
Exact Mass: 786.476557
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) | 39.6 |
| 2 (CH2) | 27.1 |
| 3 (CH) | 89.2 |
| 4 (C) | 40.1 |
| 5 (CH) | 56.8 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 35.4 |
| 8 (C) | 40.3 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.2 |
| 11 (CH2) | 32.1 |
| 12 (CH) | 70.8 |
| 13 (CH) | 49.3 |
| 14 (C) | 52.2 |
| 15 (CH2) | 32.4 |
| 16 (CH2) | 27.1 |
| 17 (CH) | 52.7 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 16.5 |
| 20 (C) | 79.7 |
| 21 (CH3) | 28 |
| 22 (CH2) | 37.6 |
| 23 (CH) | 67.4 |
| 24 (CH) | 81 |
| 25 (C) | 79.5 |
| 26 (CH3) | 24.9 |
| 27 (CH3) | 30.7 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 18.2 |
| 1' (CH) | 105.1 |
| 2' (CH) | 84.1 |
| 3' (CH) | 78.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 107.1 |
| 2'' (CH) | 76.8 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.4 |
| 5'' (CH2) | 67.8 |
