Spektraris NMR
Dehydrosapogenin
Common Name: Dehydrosapogenin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H46O3/c1-25(2)12-9-18-10-13-28(5)20(19(18)15-25)7-8-23-26(3)16-21(31)24(32)27(4,17-30)22(26)11-14-29(23,28)6/h7,21-24,30-32H,8-17H2,1-6H3/t21-,22+,23+,24-,26-,27-,28+,29+/m0/s1
InChIKey: InChIKey=AGVXXHHQROJFCP-SHPVQALKSA-N
Formula: C29H46O3
Molecular Weight: 442.67483
Exact Mass: 442.344695
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Rowan D.D., Newman R.H. Phytochemistry (1984) 23, 639
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Oleananes; 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) | 45.1 |
| 2 (CH) | 71.6 |
| 3 (CH) | 72.8 |
| 4 (C) | 42.5 |
| 5 (CH) | 48.2 |
| 6 (CH2) | 18.1 |
| 7 (CH2) | 33.5 |
| 8 (C) | 39.1 |
| 9 (CH) | 46.8 |
| 10 (C) | 37 |
| 11 (CH2) | 24.6 |
| 12 (CH) | 127.5 |
| 13 (C) | 139.3 |
| 14 (C) | 45.2 |
| 15 (CH2) | 40.3 |
| 16 (CH2) | 199.2 |
| 17 (C) | 129.1 |
| 18 (C) | 146.2 |
| 19 (CH2) | 44.4 |
| 20 (C) | 29.2 |
| 21 (CH2) | 34.6 |
| 22 (CH2) | 21.2 |
| 23 (CH2) | 67.5 |
| 24 (CH3) | 14.6 |
| 25 (CH3) | 17.4 |
| 26 (CH3) | 18 |
| 27 (CH3) | 28.1 |
| 29 (CH3) | 28.6 |
| 30 (CH3) | 23.3 |
