Spektraris NMR
(5ξ,6α,8ξ,9β,11α,16β,24R)-6,11,16,25-Tetrahydroxy-20,24-epoxy-9,19-cyclolanostan-3-one
Common Name: (5ξ,6α,8ξ,9β,11α,16β,24R)-6,11,16,25-Tetrahydroxy-20,24-epoxy-9,19-cyclolanostan-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O6/c1-24(2)19(33)8-11-29-15-30(29)18(12-16(31)22(24)29)26(5)13-17(32)23(27(26,6)14-20(30)34)28(7)10-9-21(36-28)25(3,4)35/h16-18,20-23,31-32,34-35H,8-15H2,1-7H3/t16-,17-,18-,20+,21-,22-,23-,26-,27+,28+,29+,30-/m0/s1
InChIKey: InChIKey=XZAPGQTZXQNKBS-RETKUFMSSA-N
Formula: C30H48O6
Molecular Weight: 504.699663
Exact Mass: 504.345089
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Mamedova, R.P., Isaev, M.I. Chem Nat Compd (2004) 40, 303-57
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Cycloartanes; 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) | 30 |
| 2 (CH2) | 36.41 |
| 3 (C) | 217.08 |
| 4 (C) | 50.69 |
| 5 (CH) | 54.66 |
| 6 (CH) | 68.7 |
| 7 (CH2) | 38.86 |
| 8 (CH) | 48.19 |
| 9 (C) | 28.29 |
| 10 (C) | 28.96 |
| 11 (CH) | 63.76 |
| 12 (CH2) | 48.35 |
| 13 (C) | 45.65 |
| 14 (C) | 46.2 |
| 15 (CH2) | 46.82 |
| 16 (CH) | 73.43 |
| 17 (CH) | 58.53 |
| 18 (CH3) | 21.87 |
| 19 (CH2) | 29.61 |
| 20 (C) | 87.11 |
| 21 (CH3) | 28.53 |
| 22 (CH2) | 34.98 |
| 23 (CH2) | 26.38 |
| 24 (CH) | 81.81 |
| 25 (C) | 71.2 |
| 26 (CH3) | 27.13 |
| 27 (CH3) | 28.15 |
| 28 (CH3) | 28.53 |
| 29 (CH3) | 21.54 |
| 30 (CH3) | 20.68 |
