Spektraris NMR
(3β,13ξ,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside
![(3β,13ξ,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside](/nmr/static/nmr/svg/3069.svg)
Common Name: (3β,13ξ,23S)-20-Hydroxy-21-oxo-21,23-epoxydammar-24-en-3-yl 6-deoxy-α-L-mannopyranosyl-(1->2)-[β-D-glucopyranosyl-(1->3)]-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H78O18/c1-21(2)17-23-18-48(59,43(58)61-23)25-11-15-46(7)24(25)9-10-29-45(6)14-13-30(44(4,5)28(45)12-16-47(29,46)8)64-42-39(66-40-36(56)34(54)31(51)22(3)60-40)38(33(53)27(20-50)63-42)65-41-37(57)35(55)32(52)26(19-49)62-41/h17,22-42,49-57,59H,9-16,18-20H2,1-8H3/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=QHTWGWYDUIEBIJ-JGMVCQSBSA-N
Formula: C48H78O18
Molecular Weight: 943.123991
Exact Mass: 942.518816
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ying, F., Hu, L.-H. Helv Chim Acta (2005) 88, 1126-34
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 (CH2) | 27.2 |
| 3 (CH) | 89 |
| 4 (C) | 40 |
| 5 (CH) | 56.9 |
| 6 (CH2) | 18.7 |
| 7 (CH2) | 36 |
| 8 (C) | 41 |
| 9 (CH) | 51.4 |
| 10 (C) | 37.3 |
| 11 (CH2) | 22 |
| 12 (CH2) | 26.1 |
| 13 (CH) | 43.6 |
| 14 (C) | 50.9 |
| 15 (CH2) | 32 |
| 16 (CH2) | 27.6 |
| 17 (CH) | 46.1 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 16.8 |
| 20 (C) | 79.3 |
| 21 (C) | 179.7 |
| 22 (CH2) | 41 |
| 23 (CH) | 74.2 |
| 24 (CH) | 125.7 |
| 25 (C) | 138.7 |
| 26 (CH3) | 18.4 |
| 27 (CH3) | 25.9 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 17.1 |
| 30 (CH3) | 16.8 |
| 1' (CH) | 105.2 |
| 2' (CH) | 77.1 |
| 3' (CH) | 89.8 |
| 4' (CH) | 70 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.6 |
| 1'' (CH) | 101.8 |
| 2'' (CH) | 72.6 |
| 3'' (CH) | 72.6 |
| 4'' (CH) | 74.1 |
| 5'' (CH) | 70.1 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 104.1 |
| 2''' (CH) | 75.4 |
| 3''' (CH) | 78.6 |
| 4''' (CH) | 71.7 |
| 5''' (CH) | 78.8 |
| 6''' (CH2) | 62.9 |
