Spektraris NMR
20(S)-Protopanaxatriol
Common Name: 20(S)-Protopanaxatriol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O4/c1-18(2)10-9-13-30(8,34)19-11-15-28(6)24(19)20(31)16-22-27(5)14-12-23(33)26(3,4)25(27)21(32)17-29(22,28)7/h10,19-25,31-34H,9,11-17H2,1-8H3/t19-,20+,21-,22+,23-,24-,25-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=SHCBCKBYTHZQGZ-CJPZEJHVSA-N
Formula: C30H52O4
Molecular Weight: 476.732616
Exact Mass: 476.38656
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) | 39.3 |
| 2 (CH2) | 28 |
| 3 (CH) | 78.3 |
| 4 (C) | 40.3 |
| 5 (CH) | 61.7 |
| 6 (CH) | 67.6 |
| 7 (CH2) | 47.4 |
| 8 (C) | 41.1 |
| 9 (CH) | 50 |
| 10 (C) | 39.3 |
| 11 (CH2) | 31.9 |
| 12 (CH) | 71 |
| 13 (CH) | 48.2 |
| 14 (C) | 51.6 |
| 15 (CH2) | 31.3 |
| 16 (CH2) | 26.8 |
| 17 (CH) | 54.7 |
| 18 (CH3) | 17 |
| 19 (CH3) | 17.4 |
| 20 (C) | 72.9 |
| 21 (CH3) | 27 |
| 22 (CH2) | 35.8 |
| 23 (CH2) | 22.9 |
| 24 (CH) | 126.2 |
| 25 (C) | 130.7 |
| 26 (CH3) | 25.8 |
| 27 (CH3) | 17.6 |
| 28 (CH3) | 31.9 |
| 29 (CH3) | 16.4 |
| 30 (CH3) | 17.5 |
