305841-29-6
SAGOPILONE
Name
SAGOPILONE
Formula
C30 H41 N O6 S
MolWeight
543.721
1Identification
【Name】
SAGOPILONE
【CAS】
【MDL】
MFCD09954142
【English Synonyms】
【Formula】
C30 H41 N O6 S
【MolWeight】
543.721
【Inchi】
InChI=1S/C30H41NO6S/c1-7-9-20-27(34)17(2)10-8-13-30(6)25(37-30)15-22(19-11-12-23-21(14-19)31-18(3)38-23)36-26(33)16-24(32)29(4,5)28(20)35/h7,11-12,14,17,20,22,24-25,27,32,34H,1,8-10,13,15-16H2,2-6H3/t17-,20+,22-,24-,25-,27-,30+/m0/s1
【InChIKey】
InChIKey=BFZKMNSQCNVFGM-UCEYFQQTSA-N
【SMILES】
Cc1nc2cc(ccc2s1)[C@@H]3C[C@H]4[C@](O4)(CCC[C@@H]([C@@H]([C@H](C(=O)C([C@H](CC(=O)O3)O)(C)C)CC=C)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SAGOPILONE.cml
Quick Release
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