Spektraris NMR
Dihydrorussulaflavidin
Common Name: Dihydrorussulaflavidin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H38O3/c1-18(2)8-7-11-25(4)12-15-28(31)23-10-9-20-19(3)24(30)22(29)16-21(20)27(23,6)14-13-26(28,5)17-25/h8-10,16,30-31H,7,11-15,17H2,1-6H3/t25-,26+,27+,28+/m1/s1
InChIKey: InChIKey=GWCDLSJGYSMPGI-UNFRKHOWSA-N
Formula: C28H38O3
Molecular Weight: 422.600569
Exact Mass: 422.282095
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Fràde, R., Bràckelmann, S.B., Steglich, W., Marumoto, R. Tetrahedron (1995) 51, 2553-60
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Shionanes; 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 (CH) | 120.14 |
| 2 (C) | 178.73 |
| 3 (C) | 146.08 |
| 4 (C) | 116.63 |
| 5 (C) | 129.1 |
| 6 (CH) | 132.73 |
| 7 (CH) | 118.12 |
| 8 (C) | 163.48 |
| 9 (C) | 43.39 |
| 10 (C) | 160.98 |
| 11 (CH2) | 34.44 |
| 12 (CH2) | 31.93 |
| 13 (C) | 39.34 |
| 14 (C) | 75.47 |
| 15 (CH2) | 28.28 |
| 16 (CH2) | 34.25 |
| 17 (C) | 32.44 |
| 18 (CH2) | 42.86 |
| 19 (CH2) | 40.33 |
| 20 (CH2) | 22.92 |
| 21 (CH) | 124.82 |
| 22 (C) | 131.16 |
| 23 (CH3) | 10.33 |
| 25 (CH3) | 36.34 |
| 27 (CH3) | 20.57 |
| 28 (CH3) | 31.93 |
| 29 (CH3) | 25.71 |
| 30 (CH3) | 17.6 |
