Spektraris NMR
Methyl (24E)-9a,23a-dihydroxy-3,15-dioxo-17,15-friedolanostan-8(14),24-dien-26-oate
Common Name: Methyl (24E)-9a,23a-dihydroxy-3,15-dioxo-17,15-friedolanostan-8(14),24-dien-26-oate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H46O6/c1-18(26(35)37-8)15-20(32)16-19(2)30(7)17-22(33)25-21-9-10-23-27(3,4)24(34)11-12-28(23,5)31(21,36)14-13-29(25,30)6/h15,19-20,23,32,36H,9-14,16-17H2,1-8H3/b18-15+/t19-,20+,23+,28+,29-,30+,31-/m1/s1
InChIKey: InChIKey=ATVYXXWJIBEFNA-KJZIUCERSA-N
Formula: C31H46O6
Molecular Weight: 514.694517
Exact Mass: 514.329439
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Vieira, L.M., Kijjoa, A., Wilairat, R., Nascimento, M.S., Gales, L., Damas, A.M., Silva, A.M., Mondranondra, I.O., Herz, W. J Nat Prod (2004) 67, 2043-7
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) | 31.13 |
| 2 (CH2) | 34.46 |
| 3 (C) | 217.4 |
| 4 (C) | 47.09 |
| 5 (CH) | 45.87 |
| 6 (CH2) | 23.33 |
| 7 (CH2) | 23.33 |
| 8 (C) | 150.3 |
| 9 (C) | 74.6 |
| 10 (C) | 43.97 |
| 11 (CH2) | 30.89 |
| 12 (CH2) | 32.55 |
| 13 (C) | 46.02 |
| 14 (C) | 140.64 |
| 15 (C) | 207.81 |
| 16 (CH2) | 52.23 |
| 17 (C) | 44.58 |
| 18 (CH3) | 16.86 |
| 19 (CH3) | 18.05 |
| 20 (CH) | 33.33 |
| 21 (CH3) | 15.39 |
| 22 (CH2) | 39.15 |
| 23 (CH) | 66.48 |
| 24 (CH) | 144.05 |
| 25 (C) | 127.36 |
| 26 (C) | 168.36 |
| 27 (CH3) | 12.77 |
| 28 (CH3) | 27.17 |
| 29 (CH3) | 21.58 |
| 30 (CH3) | 21.06 |
| 26a (CH3) | 52.06 |
