863566-91-0
(7R,9R)-7,9-METHANO-3,8,8-TRIMETHYL-4A,5,8,9-TETRAHYDRO-1H,7H-PYRANO[4,3-B]BENZOPYRAN-1-ONE
Name(7R,9R)-7,9-METHANO-3,8,8-TRIMETHYL-4A,5,8,9-TETRAHYDRO-1H,7H-PYRANO[4,3-B]BENZOPYRAN-1-ONE
1Identification
【Name】
(7R,9R)-7,9-METHANO-3,8,8-TRIMETHYL-4A,5,8,9-TETRAHYDRO-1H,7H-PYRANO[4,3-B]BENZOPYRAN-1-ONE
【CAS】
【MDL】
MFCD08752427
【English Synonyms】
【Formula】
C16 H18 O3
【MolWeight】
258.315
【Inchi】
InChI=1S/C16H18O3/c1-8-4-13-11(15(17)18-8)7-10-12-5-9(16(12,2)3)6-14(10)19-13/h4,7,9,12,14H,5-6H2,1-3H3/t9-,12+,14-/m1/s1
【InChIKey】
InChIKey=YTSAKKVFBOGNHK-LJWDBELGSA-N
【SMILES】
Cc1cc2c(c(=O)o1)C=C3[C@@H]4C[C@@H](C4(C)C)C[C@H]3O2
【MOL File】
(7R,9R)-7,9-METHANO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(7R,9R)-7,9-METHANO-3,8,8-TRIMETHYL-4A,5,8,9-TETRAHYDRO-1H,7H-PYRANO[4,3-B]BENZOPYRAN-1-ONE.cml