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97456-49-0
CYCLOART-22-ENE-3,25-DIOL
Name
CYCLOART-22-ENE-3,25-DIOL
Formula
C30 H50 O2
MolWeight
442.723
1Identification
【Name】
CYCLOART-22-ENE-3,25-DIOL
【CAS】
【MDL】
MFCD17214913
【English Synonyms】
【Formula】
C30 H50 O2
【MolWeight】
442.723
【Inchi】
InChI=1S/C30H50O2/c1-20(9-8-14-25(2,3)32)21-12-15-28(7)23-11-10-22-26(4,5)24(31)13-16-29(22)19-30(23,29)18-17-27(21,28)6/h8-9,20-24,31-32H,10-19H2,1-7H3/b9-8+/t20-,21-,22+,23+,24+,27-,28+,29-,30+/m1/s1
【InChIKey】
InChIKey=MAAZYVBWMZJVAO-VUTQOURGSA-N
【SMILES】
C[C@H](/C=C/CC(C)(C)O)[C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2CC[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)O)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOART-22-ENE-3,25-DIOL.cml
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