Spektraris NMR
12-Oxo-27-hydroxyl-20(S)-protopanaxatriol
Common Name: 12-Oxo-27-hydroxyl-20(S)-protopanaxatriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H50O5/c1-18(17-31)9-8-12-30(7,35)19-10-14-28(5)24(19)20(32)15-22-27(4)13-11-23(34)26(2,3)25(27)21(33)16-29(22,28)6/h9,19,21-25,31,33-35H,8,10-17H2,1-7H3/b18-9+/t19-,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=XPABCNSGWRXRJY-XMBZUMAJSA-N
Formula: C30H50O5
Molecular Weight: 490.716139
Exact Mass: 490.365825
NMR Solvent: P+P
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) | 27.9 |
| 3 (CH) | 78.1 |
| 4 (C) | 40 |
| 5 (CH) | 61.5 |
| 6 (CH) | 67.6 |
| 7 (CH2) | 46.7 |
| 8 (C) | 42.2 |
| 9 (CH) | 54 |
| 10 (C) | 38.9 |
| 11 (CH2) | 40.3 |
| 12 (C) | 211.8 |
| 13 (CH) | 56.2 |
| 14 (C) | 55.5 |
| 15 (CH2) | 31.9 |
| 16 (CH2) | 24.5 |
| 17 (CH) | 44.1 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 17.3 |
| 20 (C) | 73.2 |
| 21 (CH3) | 26.5 |
| 22 (CH2) | 41.6 |
| 23 (CH2) | 23.2 |
| 24 (CH) | 127.5 |
| 25 (C) | 136.3 |
| 26 (CH2) | 60.8 |
| 27 (CH3) | 21.8 |
| 28 (CH3) | 31.8 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 17.4 |
