Spektraris NMR
Notoginsenoside FP1
Common Name: Notoginsenoside FP1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C47H80O18/c1-21(2)10-9-13-47(8,65-42-38(59)35(56)33(54)27(64-42)20-61-40-36(57)31(52)24(50)19-60-40)22-11-15-45(6)30(22)23(49)16-28-44(5)14-12-29(51)43(3,4)39(44)25(17-46(28,45)7)62-41-37(58)34(55)32(53)26(18-48)63-41/h10,22-42,48-59H,9,11-20H2,1-8H3/t22-,23+,24-,25-,26+,27+,28+,29-,30-,31-,32+,33+,34-,35-,36+,37+,38+,39-,40-,41+,42-,44+,45+,46+,47-/m0/s1
InChIKey: InChIKey=FUNRTBXEVGIOFB-ADXARKBWSA-N
Formula: C47H80O18
Molecular Weight: 933.129136
Exact Mass: 932.534466
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wang, X.Y., Wang, D., Ma, X.X., Zhang, Y.J., Yang, C.R. Helv Chim Acta (2008) 91, 60-6
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) | 39.8 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.8 |
| 4 (C) | 40.5 |
| 5 (CH) | 61.5 |
| 6 (CH) | 80.3 |
| 7 (CH2) | 45.2 |
| 8 (C) | 41.2 |
| 9 (CH) | 50.1 |
| 10 (C) | 39.6 |
| 11 (CH2) | 30.9 |
| 12 (CH) | 70.4 |
| 13 (CH) | 49.2 |
| 14 (C) | 51.5 |
| 15 (CH2) | 30.7 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 51.7 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 17.7 |
| 20 (C) | 83.7 |
| 21 (CH3) | 22.4 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 126.1 |
| 25 (C) | 131.3 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18 |
| 29 (CH3) | 31.9 |
| 28 (CH3) | 16.5 |
| 30 (CH3) | 17.7 |
| 1' (CH) | 106 |
| 2' (CH) | 75.6 |
| 3' (CH) | 79.7 |
| 4' (CH) | 71.8 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 63.2 |
| 1'' (CH) | 98.2 |
| 2'' (CH) | 75 |
| 3'' (CH) | 79.3 |
| 4'' (CH) | 72 |
| 5'' (CH) | 76.8 |
| 6'' (CH2) | 69.3 |
| 1''' (CH) | 104.8 |
| 2''' (CH) | 72.3 |
| 3''' (CH) | 74.2 |
| 4''' (CH) | 68.7 |
| 5''' (CH2) | 65.7 |
