Spektraris NMR
SCHEMBL1047769
Common Name: SCHEMBL1047769
Synonyms: SCHEMBL1047769
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-16-10-11-30(24(34)35)13-12-27(5)17(22(30)29(16,7)36)8-9-19-26(4)15-18(31)23(33)25(2,3)20(26)14-21(32)28(19,27)6/h8,16,18-23,31-33,36H,9-15H2,1-7H3,(H,34,35)/t16-,18-,19-,20+,21-,22-,23+,26-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=OTMKLLGULDKXFS-PAMNOETHSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Houghton P. J., Lian L. M. Phytochemistry (1986) 25, 1939
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Ursanes; 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) | 48.4 |
| 2 (CH) | 67.7 |
| 3 (CH) | 82.9 |
| 4 (C) | 41.2 |
| 5 (CH) | 53.3 |
| 6 (CH2) | 27.7 |
| 7 (CH) | 66.9 |
| 8 (C) | 39.2 |
| 9 (CH) | 47.4 |
| 10 (C) | 38.4 |
| 11 (CH2) | 22.8 |
| 12 (CH) | 127.6 |
| 13 (C) | 137.5 |
| 14 (C) | 41.2 |
| 15 (CH2) | 28.7 |
| 16 (CH2) | 25.4 |
| 17 (C) | 47.9 |
| 18 (CH) | 55.3 |
| 19 (C) | 71.8 |
| 20 (CH) | 41.1 |
| 21 (CH2) | 24.8 |
| 22 (CH2) | 37.1 |
| 23 (CH3) | 25.2 |
| 24 (CH3) | 16.6 |
| 25 (CH3) | 16.8 |
| 26 (CH3) | 16.6 |
| 27 (CH3) | 27 |
| 28 (C) | 180.6 |
| 29 (CH3) | 22.9 |
| 30 (CH3) | 14.6 |
