Spektraris NMR
Diosbulbiside C
Common Name: Diosbulbiside C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H70O17/c1-19(17-46)7-10-28(48)20(2)31-29(49)16-27-25-9-8-23-15-24(11-13-44(23,5)26(25)12-14-45(27,31)6)59-43-40(62-42-38(56)36(54)33(51)22(4)58-42)39(34(52)30(18-47)60-43)61-41-37(55)35(53)32(50)21(3)57-41/h8,19,21-22,24-27,30,32-43,46-47,50-56H,7,9-18H2,1-6H3/b31-20+/t19-,21+,22+,24+,25-,26+,27+,30-,32+,33+,34-,35-,36-,37-,38-,39+,40-,41+,42+,43-,44+,45+/m1/s1
InChIKey: InChIKey=RMWYKMYLRRSMGB-WKMOWDAYSA-N
Formula: C45H70O17
Molecular Weight: 883.028852
Exact Mass: 882.461301
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) | 37.2 |
| 2 (CH2) | 30.1 |
| 3 (CH) | 77.8 |
| 4 (CH2) | 38.7 |
| 5 (C) | 141 |
| 6 (CH) | 121.5 |
| 7 (CH2) | 31.8 |
| 8 (CH) | 30.9 |
| 9 (CH) | 50 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21 |
| 12 (CH2) | 36.2 |
| 13 (C) | 43.5 |
| 14 (CH) | 50.6 |
| 15 (CH2) | 38.1 |
| 16 (C) | 205.7 |
| 17 (C) | 142.7 |
| 18 (CH3) | 16.8 |
| 19 (CH3) | 19.4 |
| 20 (C) | 145.7 |
| 21 (CH3) | 15.9 |
| 22 (C) | 210.7 |
| 23 (CH2) | 39.2 |
| 24 (CH2) | 28 |
| 25 (CH) | 36.2 |
| 26 (CH2) | 67.6 |
| 27 (CH3) | 17.3 |
| 1' (CH) | 100.1 |
| 2' (CH) | 78.4 |
| 3' (CH) | 87.5 |
| 4' (CH) | 70.1 |
| 5' (CH) | 78.2 |
| 6' (CH2) | 62.4 |
| 1'' (CH) | 102.7 |
| 2'' (CH) | 72.6 |
| 3'' (CH) | 72.9 |
| 4'' (CH) | 73.9 |
| 5'' (CH) | 70 |
| 6'' (CH3) | 18.8 |
| 1''' (CH) | 104 |
| 2''' (CH) | 72.6 |
| 3''' (CH) | 72.7 |
| 4''' (CH) | 73.7 |
| 5''' (CH) | 70.7 |
| 6''' (CH3) | 18.5 |
