Spektraris NMR
Diosbulbisin B
Common Name: Diosbulbisin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H40O5/c1-16-26(12-11-23(2,29)15-31-26)32-22-14-21-19-6-5-17-13-18(28)7-9-24(17,3)20(19)8-10-25(21,4)27(16,22)30/h13,16,19-22,29-30H,5-12,14-15H2,1-4H3/t16-,19-,20+,21+,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey: InChIKey=VIICIDHJJSSKLQ-PSMVTDORSA-N
Formula: C27H40O5
Molecular Weight: 444.604524
Exact Mass: 444.287574
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Liu, H., Chou, G.X., Wu, T., Guo, Y.L., Wang, S.C., Wang, C.H., Wang, Z.T. J Nat Prod (2009) 72, 1964-8
Species:
Notes: Family : Steroids, Type : Spirostanes; 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) | 36 |
| 2 (CH2) | 34.5 |
| 3 (C) | 198.5 |
| 4 (CH) | 123.8 |
| 5 (C) | 170.8 |
| 6 (CH2) | 32.9 |
| 7 (CH2) | 32.5 |
| 8 (CH) | 36 |
| 9 (CH) | 53.8 |
| 10 (C) | 38.9 |
| 11 (CH2) | 21 |
| 12 (CH2) | 32.1 |
| 13 (C) | 45.4 |
| 14 (CH) | 52.3 |
| 15 (CH2) | 31.8 |
| 16 (CH) | 90.2 |
| 17 (C) | 90 |
| 18 (CH3) | 17.3 |
| 19 (CH3) | 17.4 |
| 20 (CH) | 45 |
| 21 (CH3) | 9.9 |
| 22 (C) | 110.3 |
| 23 (CH2) | 28.2 |
| 24 (CH2) | 33.5 |
| 25 (C) | 66 |
| 26 (CH2) | 69.8 |
| 27 (CH3) | 27.1 |
