InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1

【InChIKey】

InChIKey=ORDAZKGHSNRHTD-UXHICEINSA-N

【SMILES】

CC1(C=Cc2c(ccc3c2O[C@@H]4COc5cc(c(cc5[C@@H]4C3=O)OC)OC)O1)C

【MOL File】

DEGUELIN.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:6

XLogP3:4.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

DEGUELIN.cml

Quick Release

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522-17-8 DEGUELIN

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】