InChI=1S/C33H42O19/c1-14-23(38)26(41)28(43)32(49-14)48-13-21-24(39)27(42)29(44)33(51-21)52-31-25(40)22-17(37)11-16(45-7-4-34)12-20(22)50-30(31)15-2-3-18(46-8-5-35)19(10-15)47-9-6-36/h2-3,10-12,14,21,23-24,26-29,32-39,41-44H,4-9,13H2,1H3/t14-,21+,23-,24+,26+,27-,28+,29+,32+,33-/m0/s1

【InChIKey】

InChIKey=IYVFNTXFRYQLRP-VVSTWUKXSA-N

【SMILES】

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)Oc3c(=O)c4c(cc(cc4oc3c5ccc(c(c5)OCCO)OCCO)OCCO)O)O)O)O)O)O)O

【MOL File】

TROXERUTIN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:10

H bond acceptor:19

XLogP3:-2.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

【Safe Code】

22,24/25

【WGK Germany】

4CML File

TROXERUTIN.cml

Quick Release

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31511-30-5 TROXERUTIN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】