Spektraris NMR
Methyl)(24E)-3a,16a,23 a(=6R,23R)-epoxy-17,4-friedolan-8,14,24-trien-26-oate
Common Name: Methyl)(24E)-3a,16a,23 a(=6R,23R)-epoxy-17,4-friedolan-8,14,24-trien-26-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O4/c1-18(27(33)34-8)15-20-16-19(2)31(7)26(35-20)17-23-21-9-10-24-28(3,4)25(32)12-13-29(24,5)22(21)11-14-30(23,31)6/h15,17,19-20,24-26,32H,9-14,16H2,1-8H3/b18-15+/t19-,20+,24+,25-,26-,29-,30-,31-/m1/s1
InChIKey: InChIKey=UHAGUOVAMDBBBA-UMZAAGSZSA-N
Formula: C31H46O4
Molecular Weight: 482.695707
Exact Mass: 482.33961
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) | 29.06 |
| 2 (CH2) | 25.41 |
| 3 (CH) | 75.6 |
| 4 (C) | 37.52 |
| 5 (CH) | 44.09 |
| 6 (CH2) | 17.85 |
| 7 (CH2) | 26.36 |
| 8 (C) | 122.5 |
| 9 (C) | 145.91 |
| 10 (C) | 37.98 |
| 11 (CH2) | 22.24 |
| 12 (CH2) | 29.85 |
| 13 (C) | 48.02 |
| 14 (C) | 155.59 |
| 15 (CH) | 115.32 |
| 16 (CH) | 89.29 |
| 17 (C) | 45.81 |
| 18 (CH3) | 25.02 |
| 19 (CH3) | 18.91 |
| 20 (CH) | 39.06 |
| 21 (CH3) | 16.37 |
| 22 (CH2) | 36.32 |
| 23 (CH) | 74.25 |
| 24 (CH) | 142.08 |
| 25 (C) | 127.69 |
| 26 (C) | 168.38 |
| 27 (CH3) | 12.95 |
| 28 (CH3) | 27.93 |
| 29 (CH3) | 22.1 |
| 30 (CH3) | 22.37 |
| 26a (CH3) | 51.72 |
