Spektraris NMR
12-Oxo-15a-hydroxyl-20(S)-protopanaxatriol
Common Name: 12-Oxo-15a-hydroxyl-20(S)-protopanaxatriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-17(2)10-9-12-29(7,35)18-14-23(34)30(8)24(18)19(31)15-21-27(5)13-11-22(33)26(3,4)25(27)20(32)16-28(21,30)6/h10,18,20-25,32-35H,9,11-16H2,1-8H3/t18-,20-,21+,22-,23-,24-,25-,27+,28+,29-,30+/m0/s1
InChIKey: InChIKey=XPKDWTIMEBKOMC-MDPJNGENSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Tian, Y., Guo, H., Han, J., Guo, D. J Nat Prod (2005) 68, 678-80
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) | 39.4 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.1 |
| 4 (C) | 39.9 |
| 5 (CH) | 61.5 |
| 6 (CH) | 67.7 |
| 7 (CH2) | 47.3 |
| 8 (C) | 42.4 |
| 9 (CH) | 54.7 |
| 10 (C) | 39.1 |
| 11 (CH2) | 40.3 |
| 12 (C) | 211.3 |
| 13 (CH) | 54 |
| 14 (C) | 56.5 |
| 15 (CH) | 73.1 |
| 16 (CH2) | 34.3 |
| 17 (CH) | 40.9 |
| 18 (CH3) | 11.4 |
| 19 (CH3) | 17.3 |
| 20 (C) | 73 |
| 21 (CH3) | 26.1 |
| 22 (CH2) | 42.4 |
| 23 (CH2) | 23.6 |
| 24 (CH) | 125.7 |
| 25 (C) | 130.9 |
| 26 (CH3) | 25.7 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 31.7 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 17.5 |
