349477-49-2
7-CYCLOHEXYLHEPTYL-4-O-(A-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
Name7-CYCLOHEXYLHEPTYL-4-O-(A-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
1Identification
【Name】
7-CYCLOHEXYLHEPTYL-4-O-(A-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
【CAS】
【MDL】
MFCD09750884
【English Synonyms】
【Formula】
C25 H46 O11
【MolWeight】
522.627
【Inchi】
InChI=1S/C25H46O11/c26-13-16-18(28)19(29)21(31)25(34-16)36-23-17(14-27)35-24(22(32)20(23)30)33-12-8-3-1-2-5-9-15-10-6-4-7-11-15/h15-32H,1-14H2/t16-,17-,18-,19+,20-,21-,22-,23-,24-,25-/m1/s1
【InChIKey】
InChIKey=BEKAVONQUWHNMM-IYBATYGCSA-N
【SMILES】
C1CCC(CC1)CCCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O
【MOL File】
7-CYCLOHEXYLHEPTYL-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:7
H bond acceptor:11
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-CYCLOHEXYLHEPTYL-4-O-(A-D-GLUCOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE.cml