Spektraris NMR
(20S,23S,24R)-23-Acetoxy-20,25-epoxy-3beta-[(2-O,6-O-di-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,24-diol
![(20S,23S,24R)-23-Acetoxy-20,25-epoxy-3beta-[(2-O,6-O-di-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,24-diol](/nmr/static/nmr/svg/19950.svg)
Common Name: (20S,23S,24R)-23-Acetoxy-20,25-epoxy-3beta-[(2-O,6-O-di-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,24-diol
Synonyms: (20S,23S,24R)-23-Acetoxy-20,25-epoxy-3beta-[(2-O,6-O-di-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]dammarane-12beta,24-diol
CAS Registry Number:
InChI: InChI=1S/C48H80O19/c1-21(49)63-26-17-48(9,67-44(4,5)39(26)59)22-10-14-47(8)31(22)23(50)16-29-45(6)13-12-30(43(2,3)28(45)11-15-46(29,47)7)65-42-38(66-41-37(58)33(54)25(52)19-61-41)35(56)34(55)27(64-42)20-62-40-36(57)32(53)24(51)18-60-40/h22-42,50-59H,10-20H2,1-9H3/t22-,23+,24+,25+,26-,27+,28-,29+,30-,31-,32-,33-,34+,35-,36+,37+,38+,39+,40-,41-,42-,45-,46+,47+,48-/m0/s1
InChIKey: InChIKey=NVLIQQQZUXCJRA-VTDFISSXSA-N
Formula: C48H80O19
Molecular Weight: 961.139277
Exact Mass: 960.52938
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) | 39.4 |
| 2 (CH2) | 27 |
| 3 (CH) | 89.3 |
| 4 (C) | 39.9 |
| 5 (CH) | 56.6 |
| 6 (CH2) | 18.6 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.2 |
| 9 (CH) | 50.4 |
| 10 (C) | 37.1 |
| 11 (CH2) | 31.8 |
| 12 (CH) | 70.7 |
| 13 (CH) | 49.7 |
| 14 (C) | 52.3 |
| 15 (CH2) | 31.7 |
| 16 (CH2) | 27.7 |
| 17 (CH) | 52.7 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 16.6 |
| 20 (C) | 79.4 |
| 21 (CH3) | 27 |
| 22 (CH2) | 34.5 |
| 23 (CH) | 71.7 |
| 24 (CH) | 77 |
| 25 (C) | 79.6 |
| 26 (CH3) | 24.8 |
| 27 (CH3) | 30.4 |
| 28 (CH3) | 27.9 |
| 29 (CH3) | 16.3 |
| 30 (CH3) | 17.9 |
| 1' (CH) | 105.2 |
| 2' (CH) | 84 |
| 3' (CH) | 78.4 |
| 4' (CH) | 71.5 |
| 5' (CH) | 78.4 |
| 6' (CH2) | 70.1 |
| 1'' (CH) | 107.2 |
| 2'' (CH) | 76.7 |
| 3'' (CH) | 78.4 |
| 4'' (CH) | 71.2 |
| 5'' (CH2) | 67.6 |
| 1''' (CH) | 106.1 |
| 2''' (CH) | 75 |
| 3''' (CH) | 76.7 |
| 4''' (CH) | 71.2 |
| 5''' (CH2) | 67.2 |
| 23a (C) | 171.1 |
| 23b (CH3) | 21.3 |
