21800-49-7
3-[(1S,2S,6S)-6-ISOPROPENYL-1,3-DIMETHYL-2-(2-OXO-2H-CHROMEN-7-YLOXYMETHYL)-CYCLOHEX-3-ENYL]-PROPIONIC ACID
Name
3-[(1S,2S,6S)-6-ISOPROPENYL-1,3-DIMETHYL-2-(2-OXO-2H-CHROMEN-7-YLOXYMETHYL)-CYCLOHEX-3-ENYL]-PROPIONIC ACID
Formula
C24 H28 O5
MolWeight
396.48
1Identification
【Name】
3-[(1S,2S,6S)-6-ISOPROPENYL-1,3-DIMETHYL-2-(2-OXO-2H-CHROMEN-7-YLOXYMETHYL)-CYCLOHEX-3-ENYL]-PROPIONIC ACID
【CAS】
【MDL】
MFCD11519460
【English Synonyms】
【Formula】
C24 H28 O5
【MolWeight】
396.48
【Inchi】
InChI=1S/C24H28O5/c1-15(2)19-9-5-16(3)20(24(19,4)12-11-22(25)26)14-28-18-8-6-17-7-10-23(27)29-21(17)13-18/h5-8,10,13,19-20H,1,9,11-12,14H2,2-4H3,(H,25,26)/t19-,20-,24-/m0/s1
【InChIKey】
InChIKey=DRASTJFRZGDAQT-SKPFHBQLSA-N
【SMILES】
CC1=CC[C@H]([C@]([C@H]1COc2ccc3ccc(=O)oc3c2)(C)CCC(=O)O)C(=C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F