Spektraris NMR
Fibraurecdyside A
Common Name: Fibraurecdyside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H56O12/c1-16(30(2,3)42)11-25(38)33(6,43)24-8-10-34(44)18-12-20(36)19-13-22(45-29-28(41)27(40)26(39)23(15-35)46-29)21(37)14-31(19,4)17(18)7-9-32(24,34)5/h12,16-17,19,21-29,35,37-44H,7-11,13-15H2,1-6H3/t16-,17+,19+,21+,22-,23-,24+,25-,26-,27+,28-,29-,31-,32-,33-,34-/m1/s1
InChIKey: InChIKey=MQWJGLSZBHVGLN-VBSSPFTJSA-N
Formula: C34H56O12
Molecular Weight: 656.802562
Exact Mass: 656.377177
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Su, C.R., Ueng, Y.F., Dung, N.X., Vijaya Bhaskar Reddy, M., Wu, T.S. J Nat Prod (2007) 70, 1930-3
Species:
Notes: Family : Steroids, Type : Ergostanes; 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) | 39 |
| 2 (CH) | 67.5 |
| 3 (CH) | 77.7 |
| 4 (CH2) | 30.6 |
| 5 (CH) | 51.4 |
| 6 (C) | 203 |
| 7 (CH) | 121.6 |
| 8 (C) | 166.3 |
| 9 (CH) | 34.2 |
| 10 (C) | 38.7 |
| 11 (CH2) | 21.1 |
| 12 (CH2) | 32 |
| 13 (C) | 48.1 |
| 14 (C) | 84.2 |
| 15 (CH2) | 31.9 |
| 16 (CH2) | 21.4 |
| 17 (CH) | 50 |
| 18 (CH3) | 18 |
| 19 (CH3) | 24.1 |
| 20 (C) | 77 |
| 21 (CH3) | 21.6 |
| 22 (CH) | 74.7 |
| 23 (CH2) | 34.6 |
| 24 (CH) | 41.9 |
| 25 (C) | 72.1 |
| 26 (CH3) | 26.5 |
| 27 (CH3) | 28.2 |
| 1' (CH) | 104.2 |
| 2' (CH) | 74.7 |
| 3' (CH) | 78.6 |
| 4' (CH) | 71.6 |
| 5' (CH) | 78.5 |
| 6' (CH2) | 62.6 |
| 24a (CH3) | 15.5 |
