58822-47-2
SECOXYLOGANIN
Name
SECOXYLOGANIN
Formula
C17 H24 O11
MolWeight
404.366
1Identification
【Name】
SECOXYLOGANIN
【CAS】
【MDL】
MFCD20260822
【English Synonyms】
【Formula】
C17 H24 O11
【MolWeight】
404.366
【Inchi】
InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1
【InChIKey】
InChIKey=MQLSOVRLZHTATK-PEYNGXJCSA-N
【SMILES】
COC(=O)C1=CO[C@H]([C@@H]([C@@H]1CC(=O)O)C=C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:5
H bond acceptor:11
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SECOXYLOGANIN.cml
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