805245-39-0
4H-CYCLOPENTA-1,3-DIOXOL-4-OL, 3A,6A-DIHYDRO-5-IODO-2,2-DIMETHYL-6-[(TRIPHENYLMETHOXY)METHYL]-, (3AS,4R,6AR)-
Name4H-CYCLOPENTA-1,3-DIOXOL-4-OL, 3A,6A-DIHYDRO-5-IODO-2,2-DIMETHYL-6-[(TRIPHENYLMETHOXY)METHYL]-, (3AS,4R,6AR)-
1Identification
【Name】
4H-CYCLOPENTA-1,3-DIOXOL-4-OL, 3A,6A-DIHYDRO-5-IODO-2,2-DIMETHYL-6-[(TRIPHENYLMETHOXY)METHYL]-, (3AS,4R,6AR)-
【CAS】
【MDL】
MFCD13184747
【English Synonyms】
【Formula】
C29 H29 I O4
【MolWeight】
568.444
【Inchi】
InChI=1S/C29H29IO4/c1-28(2)33-26-23(24(30)25(31)27(26)34-28)18-32-19-29(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,25-27,31H,18-19H2,1-2H3/t25-,26+,27-/m0/s1
【InChIKey】
InChIKey=HHINLHKYCIOBOG-VJGNERBWSA-N
【SMILES】
CC1(O[C@H]2[C@H](C(=C([C@H]2O1)COCC(c3ccccc3)(c4ccccc4)c5ccccc5)I)O)C
【MOL File】
4H-CYCLOPENTA-1,3-DI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4H-CYCLOPENTA-1,3-DIOXOL-4-OL, 3A,6A-DIHYDRO-5-IODO-2,2-DIMETHYL-6-[(TRIPHENYLMETHOXY)METHYL]-, (3AS,4R,6AR)-.cml