681853-96-3
5,6-DIDEOXY-3,4-O-(1-METHYLETHYLIDENE)-1-O-(TRIPHENYLMETHYL)-L-ERYTHRO-HEX-5-EN-2-ULOSE
Name5,6-DIDEOXY-3,4-O-(1-METHYLETHYLIDENE)-1-O-(TRIPHENYLMETHYL)-L-ERYTHRO-HEX-5-EN-2-ULOSE
1Identification
【Name】
5,6-DIDEOXY-3,4-O-(1-METHYLETHYLIDENE)-1-O-(TRIPHENYLMETHYL)-L-ERYTHRO-HEX-5-EN-2-ULOSE
【CAS】
【MDL】
MFCD13184742
【English Synonyms】
【Formula】
C28 H28 O4
【MolWeight】
428.525
【Inchi】
InChI=1S/C28H28O4/c1-4-25-26(32-27(2,3)31-25)24(29)20-30-28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h4-19,25-26H,1,20H2,2-3H3/t25-,26+/m0/s1
【InChIKey】
InChIKey=YOYUDDUZWMEVTR-IZZNHLLZSA-N
【SMILES】
CC1(O[C@H]([C@H](O1)C(=O)COC(c2ccccc2)(c3ccccc3)c4ccccc4)C=C)C
【MOL File】
5,6-DIDEOXY-3,4-O-(1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5,6-DIDEOXY-3,4-O-(1-METHYLETHYLIDENE)-1-O-(TRIPHENYLMETHYL)-L-ERYTHRO-HEX-5-EN-2-ULOSE.cml