Spektraris NMR
Ginsenoside DM1
Common Name: Ginsenoside DM1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C48H84O9/c1-10-11-12-13-14-15-16-17-18-21-38(51)55-30-34-40(52)41(53)42(54)43(56-34)57-48(9,25-19-20-31(2)3)32-22-27-47(8)39(32)33(49)29-36-45(6)26-24-37(50)44(4,5)35(45)23-28-46(36,47)7/h20,32-37,39-43,49-50,52-54H,10-19,21-30H2,1-9H3/t32-,33+,34+,35-,36+,37-,39-,40+,41-,42+,43-,45-,46+,47+,48-/m0/s1
InChIKey: InChIKey=IIXRFDZDUYHCCG-CONBKSPKSA-N
Formula: C48H84O9
Molecular Weight: 805.176991
Exact Mass: 804.611534
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lei, J., Li, X., Gong, X.J., Zheng, Y.N. Molecules (2007) 12, 2140-50
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) | 38.9 |
| 2 (CH2) | 27.3 |
| 3 (CH) | 78.8 |
| 4 (C) | 38.9 |
| 5 (CH) | 55.8 |
| 6 (CH2) | 18.2 |
| 7 (CH2) | 34.7 |
| 8 (C) | 39.7 |
| 9 (CH) | 49.8 |
| 10 (C) | 37 |
| 11 (CH2) | 30.3 |
| 12 (CH) | 70.6 |
| 13 (CH) | 47.8 |
| 14 (C) | 51.7 |
| 15 (CH2) | 30.6 |
| 16 (CH2) | 26.6 |
| 17 (CH) | 51.3 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 15.7 |
| 20 (C) | 84.3 |
| 21 (CH3) | 21.2 |
| 22 (CH2) | 35.4 |
| 23 (CH2) | 22 |
| 24 (CH) | 124.5 |
| 25 (C) | 131.5 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 28 |
| 29 (CH3) | 15.3 |
| 30 (CH3) | 16.9 |
| 1'' (CH) | 96.8 |
| 2'' (CH) | 73.3 |
| 3'' (CH) | 76.7 |
| 4'' (CH) | 70 |
| 5'' (CH) | 73.4 |
| 6'' (CH2) | 63.3 |
| 6''a (C) | 174.1 |
| 6''b (CH2) | 34.2 |
| 6''c (CH2) | 24.8 |
| 6''d (CH2) | 29.6 |
| 6''e (CH2) | 29.1 |
| 6''f (CH2) | 29.2 |
| 6''g (CH2) | 29.3 |
| 6''h (CH2) | 29.4 |
| 6''i (CH2) | 29.6 |
| 6''j (CH2) | 31.9 |
| 6''k (CH2) | 22.6 |
| 6''l (CH3) | 14.1 |
