Spektraris NMR
Sapogenol 2
Common Name: Sapogenol 2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H46O6/c1-17(16-31)18-8-13-30(25(35)36)15-14-27(3)19(23(18)30)6-7-20-26(2)11-10-22(32)29(5,24(33)34)21(26)9-12-28(20,27)4/h16-23,32H,6-15H2,1-5H3,(H,33,34)(H,35,36)/t17?,18-,19+,20+,21+,22+,23+,26+,27+,28+,29-,30-/m0/s1
InChIKey: InChIKey=OVDLXNOFDPTSOT-OYXDRCAFSA-N
Formula: C30H46O6
Molecular Weight: 502.683781
Exact Mass: 502.329439
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Park, S.Y., Choi, H.S., Yook, C.S., Nohara, T. Chem Pharm Bull (2005) 53, 97
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Lupanes; 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) | 33.1 |
| 2 (CH2) | 26.2 |
| 3 (CH) | 73 |
| 4 (C) | 52 |
| 5 (CH) | 45.1 |
| 6 (CH2) | 21.8 |
| 7 (CH2) | 34.8 |
| 8 (C) | 41.7 |
| 9 (CH) | 50.7 |
| 10 (C) | 37.4 |
| 11 (CH2) | 21 |
| 12 (CH2) | 27 |
| 13 (CH) | 38.5 |
| 14 (C) | 43.1 |
| 15 (CH2) | 30 |
| 16 (CH2) | 32.7 |
| 17 (C) | 56.6 |
| 18 (CH) | 49 |
| 19 (CH) | 37.4 |
| 20 (CH) | 50.2 |
| 21 (CH2) | 24.1 |
| 22 (CH2) | 37.5 |
| 23 (C) | 180.1 |
| 24 (CH3) | 18.1 |
| 25 (CH3) | 16.7 |
| 26 (CH3) | 16.7 |
| 27 (CH3) | 14.6 |
| 28 (C) | 178.9 |
| 29 (CH3) | 7.1 |
| 30 (CH) | 204.7 |
