Spektraris NMR
Notoginsenoside FP2
Common Name: Notoginsenoside FP2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C58H98O26/c1-24(2)10-9-14-58(8,84-51-46(74)41(69)40(68)31(80-51)23-76-49-45(73)39(67)30(21-61)77-49)25-11-16-57(7)35(25)26(62)18-33-55(5)15-13-34(54(3,4)32(55)12-17-56(33,57)6)81-52-47(42(70)37(65)28(19-59)78-52)83-53-48(43(71)38(66)29(20-60)79-53)82-50-44(72)36(64)27(63)22-75-50/h10,25-53,59-74H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29+,30-,31+,32-,33+,34-,35-,36-,37+,38+,39-,40+,41-,42-,43-,44+,45+,46+,47+,48+,49+,50-,51-,52-,53-,55-,56+,57+,58-/m0/s1
InChIKey: InChIKey=FPMOROOPDIFSMA-HOJZLLFESA-N
Formula: C58H98O26
Molecular Weight: 1211.385404
Exact Mass: 1210.634633
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) | 39.3 |
| 2 (CH2) | 26.7 |
| 3 (CH) | 89.1 |
| 4 (C) | 39.8 |
| 5 (CH) | 56.5 |
| 6 (CH2) | 18.5 |
| 7 (CH2) | 35.2 |
| 8 (C) | 40.1 |
| 9 (CH) | 49.8 |
| 10 (C) | 37 |
| 11 (CH2) | 30.9 |
| 12 (CH) | 70.4 |
| 13 (CH) | 49.5 |
| 14 (C) | 51.5 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 51.8 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 16.4 |
| 20 (C) | 83.5 |
| 21 (CH3) | 22.5 |
| 22 (CH2) | 36.3 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 126.1 |
| 25 (C) | 131.1 |
| 26 (CH3) | 25.9 |
| 27 (CH3) | 18 |
| 28 (CH3) | 28.2 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 16.1 |
| 1' (CH) | 104.8 |
| 2' (CH) | 83 |
| 3' (CH) | 77.8 |
| 4' (CH) | 71.3 |
| 5' (CH) | 78.3 |
| 6' (CH2) | 63.1 |
| 1'' (CH) | 103.2 |
| 2'' (CH) | 84.6 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 79.3 |
| 6'' (CH2) | 63 |
| 1''' (CH) | 106.5 |
| 2''' (CH) | 76 |
| 3''' (CH) | 78.7 |
| 4''' (CH) | 70.8 |
| 5''' (CH2) | 67.5 |
| 1'''' (CH) | 98.2 |
| 2'''' (CH) | 75.1 |
| 3'''' (CH) | 76 |
| 4'''' (CH) | 72.2 |
| 5'''' (CH) | 76.6 |
| 6'''' (CH2) | 68.6 |
| 1''''' (CH) | 110.2 |
| 2''''' (CH) | 83.4 |
| 3''''' (CH) | 79 |
| 4''''' (CH) | 86.2 |
| 5''''' (CH2) | 62.8 |
