Spektraris NMR
Methyl(24E)-3a,23a-dihydroxy-8a,9a-epoxy-15-oxo-17,14-friedolanostan-24-en-26-oate
Common Name: Methyl(24E)-3a,23a-dihydroxy-8a,9a-epoxy-15-oxo-17,14-friedolanostan-24-en-26-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H48O6/c1-18(25(35)36-8)15-20(32)16-19(2)29(7)17-21(33)24-28(29,6)13-14-31-27(5)11-10-23(34)26(3,4)22(27)9-12-30(24,31)37-31/h15,19-20,22-24,32,34H,9-14,16-17H2,1-8H3/b18-15+/t19-,20+,22+,23-,24?,27+,28-,29+,30+,31+/m1/s1
InChIKey: InChIKey=ZVFNMRKFZQXCBF-DBNISLJRSA-N
Formula: C31H48O6
Molecular Weight: 516.710399
Exact Mass: 516.345089
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vieira L.M., Kijjoa A., Silva A.M., Mondranondra I.O., Kengthong S., Gales L., Damas A.M., Herz W. Phytochemistry (2004) 65, 393-8
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Friedolanostanes; 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) | 29.98 |
| 2 (CH2) | 26.23 |
| 3 (CH) | 74.74 |
| 4 (C) | 37.43 |
| 5 (CH) | 43.02 |
| 6 (CH2) | 21.95 |
| 7 (CH2) | 33.9 |
| 8 (C) | 80.23 |
| 9 (C) | 64.76 |
| 10 (C) | 50.88 |
| 11 (CH2) | 40.27 |
| 12 (CH2) | 30.88 |
| 13 (C) | 46.71 |
| 14 (CH) | 58.25 |
| 15 (C) | 220 |
| 16 (CH2) | 42.07 |
| 17 (C) | 43.91 |
| 18 (CH3) | 20.77 |
| 19 (CH3) | 14.48 |
| 20 (CH) | 34.94 |
| 21 (CH3) | 14.78 |
| 22 (CH2) | 39.19 |
| 23 (CH) | 66.65 |
| 24 (CH) | 144.37 |
| 25 (C) | 126.91 |
| 26 (C) | 168.49 |
| 27 (CH3) | 12.75 |
| 28 (CH3) | 28.45 |
| 29 (CH3) | 22.36 |
| 30 (CH3) | 27.36 |
| 26a (CH3) | 51.99 |
