942043-30-3
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 3-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-, 2-BENZOATE
Name
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 3-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-, 2-BENZOATE
pro_formula
C34H32O6S
pro_molWeight
568.687
1Identification
【Name】
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 3-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-, 2-BENZOATE
【CAS】
【MDL】
MFCD13182649
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C34H32O6S
【pro_molWeight】
568.687
【Inchi】
InChI=1S/C34H32O6S/c1-23-17-19-27(20-18-23)41-34-31(39-32(35)25-13-7-3-8-14-25)30(36-21-24-11-5-2-6-12-24)29-28(38-34)22-37-33(40-29)26-15-9-4-10-16-26/h2-20,28-31,33-34H,21-22H2,1H3/t28-,29-,30+,31-,33-,34+/m1/s1
【InChIKey】
InChIKey=XVAVZBHWCMIPAT-ZRTCFFIFSA-N
【SMILES】
CC1=CC=C(S[C@@H]2O[C@@H]3CO[C@H](O[C@H]3[C@H](OCC3=CC=CC=C3)[C@H]2OC(=O)C2=CC=CC=C2)C2=CC=CC=C2)C=C1
【MOL File】
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:6
XLogP3:5.4594
Bulk/Fine:F
3MaterialMSDS
4CMLFile
B-D-GLUCOPYRANOSIDE, 4-METHYLPHENYL 3-O-(PHENYLMETHYL)-4,6-O-[(R)-PHENYLMETHYLENE]-1-THIO-, 2-BENZOATE.cml
quick_release
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