Spektraris NMR
Diosbulbiside B
Common Name: Diosbulbiside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C45H72O18/c1-19-29(47)32(50)34(52)38(57-19)61-36-31(49)27(17-46)60-40(37(36)62-39-35(53)33(51)30(48)20(2)58-39)59-23-9-11-42(5)22(15-23)7-8-24-25(42)10-12-43(6)26(24)16-28-45(43,55)21(3)44(63-28)14-13-41(4,54)18-56-44/h7,19-21,23-40,46-55H,8-18H2,1-6H3/t19-,20-,21+,23-,24+,25-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35+,36-,37+,38-,39-,40+,41-,42-,43-,44+,45+/m0/s1
InChIKey: InChIKey=YKBUCKAOBGDVKZ-LJVVACJKSA-N
Formula: C45H72O18
Molecular Weight: 901.044138
Exact Mass: 900.471866
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) | 37.6 |
| 2 (CH2) | 30.2 |
| 3 (CH) | 77.9 |
| 4 (CH2) | 38.8 |
| 5 (C) | 141 |
| 6 (CH) | 122 |
| 7 (CH2) | 32.6 |
| 8 (CH) | 32.5 |
| 9 (CH) | 50.3 |
| 10 (C) | 37.2 |
| 11 (CH2) | 21 |
| 12 (CH2) | 31.9 |
| 13 (C) | 45.3 |
| 14 (CH) | 53.2 |
| 15 (CH2) | 32.2 |
| 16 (CH) | 90.4 |
| 17 (C) | 90.3 |
| 18 (CH3) | 17.2 |
| 19 (CH3) | 19.5 |
| 20 (CH) | 44.9 |
| 21 (CH3) | 9.9 |
| 22 (C) | 110.3 |
| 23 (CH2) | 28.2 |
| 24 (CH2) | 33.5 |
| 25 (C) | 65.9 |
| 26 (CH2) | 69.8 |
| 27 (CH3) | 27 |
| 1' (CH) | 100 |
| 2' (CH) | 78.4 |
| 3' (CH) | 87.6 |
| 4' (CH) | 70.1 |
| 5' (CH) | 78.1 |
| 6' (CH2) | 62.4 |
| 1'' (CH) | 102.7 |
| 2'' (CH) | 72.5 |
| 3'' (CH) | 72.9 |
| 4'' (CH) | 73.9 |
| 5'' (CH) | 69.9 |
| 6'' (CH3) | 18.7 |
| 1''' (CH) | 104 |
| 2''' (CH) | 72.6 |
| 3''' (CH) | 72.7 |
| 4''' (CH) | 73.7 |
| 5''' (CH) | 70.7 |
| 6''' (CH3) | 18.5 |
