57576-29-1
CYCLOARTANE-3,24,25-TRIOL
Name
CYCLOARTANE-3,24,25-TRIOL
Formula
C30 H52 O3
MolWeight
460.738
1Identification
【Name】
CYCLOARTANE-3,24,25-TRIOL
【CAS】
【MDL】
MFCD20274857
【English Synonyms】
【Formula】
C30 H52 O3
【MolWeight】
460.738
【Inchi】
InChI=1S/C30H52O3/c1-19(7-8-22(32)20(2)17-31)21-11-13-28(6)24-10-9-23-26(3,4)25(33)12-14-29(23)18-30(24,29)16-15-27(21,28)5/h19-25,31-33H,7-18H2,1-6H3/t19-,20?,21-,22+,23+,24+,25+,27-,28+,29-,30+/m1/s1
【InChIKey】
InChIKey=RCWQNGGFUWUZIQ-NXDUFGFSSA-N
【SMILES】
C[C@H](CC[C@@H](C(C)CO)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:3
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CYCLOARTANE-3,24,25-TRIOL.cml
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