501088-34-2
B-L-IDOPYRANOSIDE, 4-METHYLPHENYL 4,6-O-[(S)-(4-METHOXYPHENYL)METHYLENE]-3-O-(PHENYLMETHYL)-1-THIO-, BENZOATE
Name
B-L-IDOPYRANOSIDE, 4-METHYLPHENYL 4,6-O-[(S)-(4-METHOXYPHENYL)METHYLENE]-3-O-(PHENYLMETHYL)-1-THIO-, BENZOATE
Formula
C35H34O7S
MolWeight
598.713
1Identification
【Name】
B-L-IDOPYRANOSIDE, 4-METHYLPHENYL 4,6-O-[(S)-(4-METHOXYPHENYL)METHYLENE]-3-O-(PHENYLMETHYL)-1-THIO-, BENZOATE
【CAS】
【MDL】
MFCD13182683
【English Synonyms】
【Formula】
C35H34O7S
【MolWeight】
598.713
【Inchi】
InChI=1S/C35H34O7S/c1-23-13-19-28(20-14-23)43-35-32(41-33(36)25-11-7-4-8-12-25)31(38-21-24-9-5-3-6-10-24)30-29(40-35)22-39-34(42-30)26-15-17-27(37-2)18-16-26/h3-20,29-32,34-35H,21-22H2,1-2H3/t29-,30+,31-,32+,34-,35+/m0/s1
【InChIKey】
InChIKey=VYYDZELHRXVJIH-BOLMEFKASA-N
【SMILES】
COC1=CC=C(C=C1)[C@H]1OC[C@@H]2O[C@H](SC3=CC=C(C)C=C3)[C@H](OC(=O)C3=CC=CC=C3)[C@@H](OCC3=CC=CC=C3)[C@@H]2O1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:5.5403
Bulk/Fine:F