53526-67-3
DURANTOSIDE I
Name
DURANTOSIDE I
Formula
C26 H32 O13
MolWeight
552.526
1Identification
【Name】
DURANTOSIDE I
【CAS】
【MDL】
MFCD22417266
【English Synonyms】
【Formula】
C26 H32 O13
【MolWeight】
552.526
【Inchi】
InChI=1S/C26H32O13/c1-25(33)16(38-17(28)9-8-13-6-4-3-5-7-13)10-26(34)14(22(32)35-2)12-36-24(21(25)26)39-23-20(31)19(30)18(29)15(11-27)37-23/h3-9,12,15-16,18-21,23-24,27,29-31,33-34H,10-11H2,1-2H3/b9-8+/t15-,16+,18-,19+,20-,21-,23+,24+,25+,26+/m1/s1
【InChIKey】
InChIKey=YRARGBWFOYODHQ-IQHUSNMXSA-N
【SMILES】
C[C@@]1([C@H](C[C@]2([C@@H]1[C@@H](OC=C2C(=O)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)/C=C/c4ccccc4)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:6
H bond acceptor:13
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
DURANTOSIDE I.cml
Quick Release
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