Spektraris NMR
(3β,7β,24Z)-7,20,26-Trihydroxydammar-24-en-3-yl 2-O-α-L-arabinopyranosyl-β-D-glucopyranoside
Common Name: (3β,7β,24Z)-7,20,26-Trihydroxydammar-24-en-3-yl 2-O-α-L-arabinopyranosyl-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C41H70O13/c1-21(18-42)9-8-14-40(6,50)23-12-16-39(5)22(23)10-11-26-38(4)15-13-29(37(2,3)27(38)17-28(45)41(26,39)7)53-36-34(32(48)31(47)25(19-43)52-36)54-35-33(49)30(46)24(44)20-51-35/h9,22-36,42-50H,8,10-20H2,1-7H3/b21-9+/t22-,23+,24+,25-,26-,27+,28+,29+,30+,31-,32+,33-,34-,35+,36+,38-,39-,40+,41+/m1/s1
InChIKey: InChIKey=ZZZBKMKVZSQKLM-WNPNVTEZSA-N
Formula: C41H70O13
Molecular Weight: 770.988289
Exact Mass: 770.481642
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, W.Y., Zhang, W.D., Chen, H.S., Gu, Z.B., Li, T.Z., Chen, W.S. Planta Med (2004) 70, 458-64
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) | 27 |
| 3 (CH) | 88.8 |
| 4 (C) | 39.6 |
| 5 (CH) | 54.1 |
| 6 (CH2) | 29.1 |
| 7 (CH) | 74.7 |
| 8 (C) | 46.6 |
| 9 (CH) | 50.9 |
| 10 (C) | 37 |
| 11 (CH2) | 22.1 |
| 12 (CH2) | 28.3 |
| 13 (CH) | 43.6 |
| 14 (C) | 50.4 |
| 15 (CH2) | 35.5 |
| 16 (CH2) | 25.9 |
| 17 (CH) | 49.8 |
| 18 (CH3) | 10.5 |
| 19 (CH3) | 16.6 |
| 20 (C) | 74.2 |
| 21 (CH3) | 26.3 |
| 22 (CH2) | 41.6 |
| 23 (CH2) | 22.9 |
| 24 (CH) | 125.6 |
| 25 (C) | 136.1 |
| 26 (CH2) | 68.2 |
| 27 (CH3) | 14 |
| 28 (CH3) | 27.8 |
| 29 (CH3) | 16.5 |
| 30 (CH3) | 16.7 |
| 1' (CH) | 105.7 |
| 2' (CH) | 83.9 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71.7 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.9 |
| 1'' (CH) | 106.7 |
| 2'' (CH) | 73.7 |
| 3'' (CH) | 74.3 |
| 4'' (CH) | 69.1 |
| 5'' (CH2) | 67 |
