Spektraris NMR
Orbicoside
Common Name: Orbicoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H60O11/c1-17(12-20(38)29(43)32(4,5)44)25-21(39)14-34(7)26-18(8-10-33(25,34)6)35(16-36)11-9-24(31(2,3)23(35)13-19(26)37)46-30-28(42)27(41)22(40)15-45-30/h8,17,19-30,36-44H,9-16H2,1-7H3/t17-,19+,20?,21+,22-,23+,24+,25+,26+,27+,28-,29?,30+,33-,34+,35+/m1/s1
InChIKey: InChIKey=KSQPBJVANTVWKR-REURUPLBSA-N
Formula: C35H60O11
Molecular Weight: 656.845656
Exact Mass: 656.413563
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 : Lanostanes; 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) | 30.87 |
| 2 (CH2) | 27.22 |
| 3 (CH) | 88.87 |
| 4 (C) | 39.84 |
| 5 (CH) | 50.44 |
| 6 (CH2) | 31.85 |
| 7 (CH) | 71.79 |
| 8 (CH) | 50.87 |
| 9 (C) | 141.86 |
| 10 (C) | 44.93 |
| 11 (CH) | 121.58 |
| 12 (CH2) | 37.54 |
| 13 (C) | 45.37 |
| 14 (C) | 45.37 |
| 15 (CH2) | 49.52 |
| 16 (CH) | 72.63 |
| 17 (CH) | 55.5 |
| 18 (CH3) | 15.69 |
| 19 (CH2) | 60.54 |
| 20 (CH) | 27.42 |
| 21 (CH3) | 20.47 |
| 22 (CH2) | 43.03 |
| 23 (CH) | 73.2 |
| 24 (CH) | 79.14 |
| 25 (C) | 74.25 |
| 26 (CH3) | 24.7 |
| 27 (CH3) | 28.89 |
| 28 (CH3) | 28.57 |
| 29 (CH3) | 19.28 |
| 30 (CH3) | 18.1 |
| 1' (CH) | 107.73 |
| 2' (CH) | 75.48 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.23 |
| 5' (CH2) | 67.14 |
