58821-95-7
TINYATOXIN
Name
TINYATOXIN
Formula
C36 H38 O8
MolWeight
598.688
1Identification
【Name】
TINYATOXIN
【CAS】
【MDL】
MFCD04307708
【English Synonyms】
【Formula】
C36 H38 O8
【MolWeight】
598.688
【Inchi】
InChI=1S/C36H38O8/c1-21(2)34-17-23(4)36-28(32(34)42-35(43-34,44-36)19-25-8-6-5-7-9-25)15-26(18-33(40)29(36)14-22(3)31(33)39)20-41-30(38)16-24-10-12-27(37)13-11-24/h5-15,23,28-29,32,37,40H,1,16-20H2,2-4H3/t23-,28+,29-,32-,33-,34-,35-,36-/m1/s1
【InChIKey】
InChIKey=WWZMXEIBZCEIFB-ACAXUWNGSA-N
【SMILES】
C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(cc6)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:7.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TINYATOXIN.cml
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