Spektraris NMR
Sasanquol
Common Name: Sasanquol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H52O/c1-22(2)11-9-15-27(5)16-19-30(8)26-14-13-24(23(3)4)25(12-10-20-31)29(26,7)18-17-28(30,6)21-27/h11,25-26,31H,9-10,12-21H2,1-8H3/t25-,26?,27-,28+,29+,30-/m1/s1
InChIKey: InChIKey=GEDCRNDZBLEQJG-GLEPPYJMSA-N
Formula: C30H52O1
Molecular Weight: 428.734401
Exact Mass: 428.401816
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akihisa, T., Yasukawa, K., Kimura, Y., Yamanouchi, S., Tamura, T. Phytochemistry (1998) 48, 301-5
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : D:B-Friedobaccharanes; 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) | 26.5 |
| 2 (CH2) | 32.1 |
| 3 (CH2) | 63.9 |
| 4 (C) | 122.1 |
| 5 (C) | 134.5 |
| 6 (CH2) | 23.7 |
| 7 (CH2) | 21.9 |
| 8 (CH) | 42.9 |
| 9 (C) | 38.6 |
| 10 (CH) | 54.9 |
| 11 (CH2) | 38.3 |
| 12 (CH2) | 32.8 |
| 13 (C) | 36.6 |
| 14 (C) | 38.9 |
| 15 (CH2) | 29.3 |
| 16 (CH2) | 34.6 |
| 17 (C) | 31.9 |
| 18 (CH2) | 44.4 |
| 19 (CH2) | 43.2 |
| 20 (CH2) | 23.1 |
| 21 (CH) | 125.3 |
| 22 (C) | 130.7 |
| 23 (CH3) | 20.5 |
| 24 (CH3) | 20.8 |
| 25 (CH3) | 19.4 |
| 26 (CH3) | 15.4 |
| 27 (CH3) | 20.3 |
| 28 (CH3) | 32.9 |
| 29 (CH3) | 17.6 |
| 30 (CH3) | 25.7 |
