Spektraris NMR
Ginsenoside SM1
Common Name: Ginsenoside SM1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C54H96O9/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-44(57)61-36-40-46(58)47(59)48(60)49(62-40)63-54(9,31-25-26-37(2)3)38-28-33-53(8)45(38)39(55)35-42-51(6)32-30-43(56)50(4,5)41(51)29-34-52(42,53)7/h26,38-43,45-49,55-56,58-60H,10-25,27-36H2,1-9H3/t38-,39+,40+,41-,42+,43-,45-,46+,47-,48+,49-,51-,52+,53+,54-/m0/s1
InChIKey: InChIKey=UZNSEMYRIDSIJH-NRMCSSCOSA-N
Formula: C54H96O9
Molecular Weight: 889.336695
Exact Mass: 888.705435
NMR Solvent: C5D5N
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) | 39.1 |
| 2 (CH2) | 28 |
| 3 (CH) | 77.8 |
| 4 (C) | 39.3 |
| 5 (CH) | 56.1 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 34.9 |
| 8 (C) | 39.8 |
| 9 (CH) | 50 |
| 10 (C) | 37.1 |
| 11 (CH2) | 30.7 |
| 12 (CH) | 69.8 |
| 13 (CH) | 49.3 |
| 14 (C) | 51.3 |
| 15 (CH2) | 30.5 |
| 16 (CH2) | 26.5 |
| 17 (CH) | 51.2 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 15.8 |
| 20 (C) | 83.1 |
| 21 (CH3) | 22.7 |
| 22 (CH2) | 35.9 |
| 23 (CH2) | 22.8 |
| 24 (CH) | 125.8 |
| 25 (C) | 130.7 |
| 26 (CH3) | 25.5 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 28.4 |
| 29 (CH3) | 16.1 |
| 30 (CH3) | 17.2 |
| 1'' (CH) | 97.8 |
| 2'' (CH) | 74.7 |
| 3'' (CH) | 79 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 77.8 |
| 6'' (CH2) | 64.4 |
| 6''a (C) | 173.3 |
| 6''b (CH2) | 34.2 |
| 6''c (CH2) | 25 |
| 6''d (CH2) | 30.7 |
| 6''e (CH2) | 29.2 |
| 6''f (CH2) | 29.3 |
| 6''g (CH2) | 29.4 |
| 6''h (CH2) | 29.7 |
| 6''i (CH2) | 29.7 |
| 6''j (CH2) | 29.7 |
| 6''k (CH2) | 29.7 |
| 6''l (CH2) | 29.7 |
| 6''m (CH2) | 29.5 |
| 6''n (CH2) | 30.5 |
| 6''o (CH2) | 29.7 |
| 6''p (CH2) | 31.9 |
| 6''q (CH2) | 22.7 |
| 6''r (CH3) | 14 |
