Spektraris NMR
Floralginsenoside P
Common Name: Floralginsenoside P
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C53H90O23/c1-22(2)10-9-13-53(8,76-47-42(68)38(64)36(62)29(73-47)21-70-45-40(66)33(59)26(58)20-69-45)23-11-15-51(6)32(23)24(56)16-30-50(5)14-12-31(49(3,4)44(50)25(57)17-52(30,51)7)74-48-43(39(65)35(61)28(19-55)72-48)75-46-41(67)37(63)34(60)27(18-54)71-46/h10,23-48,54-68H,9,11-21H2,1-8H3/t23-,24+,25-,26-,27+,28+,29+,30+,31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+,43+,44-,45-,46-,47-,48-,50+,51+,52+,53-/m0/s1
InChIKey: InChIKey=JCFOXVKGSJUKTN-LJCGQYBJSA-N
Formula: C53H90O23
Molecular Weight: 1095.269984
Exact Mass: 1094.587289
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Yoshikawa, M., Sugimoto, S., Nakamura, S., Saumae, H., Matsuda, H. Chem Pharm Bull (2007) 55, 1034-8
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) | 89.5 |
| 4 (C) | 40.6 |
| 5 (CH) | 61.8 |
| 6 (CH) | 67.6 |
| 7 (CH2) | 47.6 |
| 8 (C) | 41.2 |
| 9 (CH) | 49.9 |
| 10 (C) | 38.9 |
| 11 (CH2) | 30.8 |
| 12 (CH) | 70.3 |
| 13 (CH) | 49.2 |
| 14 (C) | 51.4 |
| 15 (CH2) | 30.8 |
| 16 (CH2) | 26.7 |
| 17 (CH) | 51.7 |
| 18 (CH3) | 17.5 |
| 19 (CH3) | 17.4 |
| 20 (C) | 83.5 |
| 21 (CH3) | 22.4 |
| 22 (CH2) | 36.2 |
| 23 (CH2) | 23.3 |
| 24 (CH) | 123.8 |
| 25 (C) | 131.1 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.9 |
| 28 (CH3) | 31.4 |
| 29 (CH3) | 16.8 |
| 30 (CH3) | 17.6 |
| 1' (CH) | 105.3 |
| 2' (CH) | 83.5 |
| 3' (CH) | 78 |
| 4' (CH) | 71.9 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 63 |
| 1'' (CH) | 106 |
| 2'' (CH) | 77 |
| 3'' (CH) | 78.5 |
| 4'' (CH) | 71.8 |
| 5'' (CH) | 78.1 |
| 6'' (CH2) | 63 |
| 1''' (CH) | 98.2 |
| 2''' (CH) | 75 |
| 3''' (CH) | 79.2 |
| 4''' (CH) | 71.9 |
| 5''' (CH) | 76.7 |
| 6''' (CH2) | 69.2 |
| 1'''' (CH) | 104.5 |
| 2'''' (CH) | 72.1 |
| 3'''' (CH) | 74.1 |
| 4'''' (CH) | 68.4 |
| 5'''' (CH2) | 65.4 |
