Diosbulbiside C

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