87178-42-5
DOSERGOSIDE
Name
DOSERGOSIDE
Formula
C34 H53 N3 O3
MolWeight
551.811
1Identification
【Name】
DOSERGOSIDE
【CAS】
【MDL】
MFCD00868464
【English Synonyms】
【Formula】
C34 H53 N3 O3
【MolWeight】
551.811
【Inchi】
InChI=1S/C34H53N3O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-32(39)30(24-38)36-34(40)26-20-28-27-17-16-18-29-33(27)25(22-35-29)21-31(28)37(2)23-26/h15-19,22,26,28,30-32,35,38-39H,3-14,20-21,23-24H2,1-2H3,(H,36,40)/b19-15+/t26-,28-,30+,31-,32+/m1/s1
【InChIKey】
InChIKey=DIPBYRMTSXMCIM-DYQBFCJTSA-N
【SMILES】
CCCCCCCCCCCCC/C=C/[C@@H]([C@H](CO)NC(=O)[C@@H]1C[C@@H]2c3cccc4c3c(c[nH]4)C[C@H]2N(C1)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:6
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DOSERGOSIDE.cml
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