InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23+,24+,25-,26+,27+,28?,29-/m1/s1

【InChIKey】

InChIKey=AHBKIEXBQNRDNL-BXXPAUNWSA-N

【SMILES】

CC(=O)[C@@]12[C@@H](C[C@@H]3[C@@]1(CC[C@H]4[C@H]3CCC5=CC(=O)CC[C@]45C)C)OC(O2)(C)c6ccccc6

【MOL File】

ALGESTONE ACETOPHENI….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:0

H bond acceptor:4

XLogP3:5.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

ALGESTONE ACETOPHENIDE.cml

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24356-94-3 ALGESTONE ACETOPHENIDE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】