7-[5ALPHA-([1S,1ALPHA(Z)-BIPHENYL]-4-YLMETHOXY)-2BETA-(4-MORPHOLINYL)-3-OXOCYCLOPENTYL]-4-HEPTENOIC ACID, CALCIUM SALT, HYDRATE

CAS No.
CCD No.
CCD08245245
Formula
C58 H68 Ca N2 O10 . H2 O
MolWeight
1011.27

Basic Information

Product Name: 7-[5ALPHA-([1S,1ALPHA(Z)-BIPHENYL]-4-YLMETHOXY)-2BETA-(4-MORPHOLINYL)-3-OXOCYCLOPENTYL]-4-HEPTENOIC ACID, CALCIUM SALT, HYDRATE
English Synonyms: 7-[5ALPHA-([1S,1ALPHA(Z)-BIPHENYL]-4-YLMETHOXY)-2BETA-(4-MORPHOLINYL)-3-OXOCYCLOPENTYL]-4-HEPTENOIC ACID, CALCIUM SALT, HYDRATE ; AH 23848, CALCIUM SALT, HYDRATE
MDL Number.: MFCD11977727
H bond acceptor: 12
H bond donor: 0
Smile: c1ccc(cc1)c2ccc(cc2)CO[C@@H]3CC(=O)[C@H]([C@@H]3CC/C=C\CCC(=O)O[Ca]OC(=O)CC/C=C\CC[C@@H]4[C@@H](CC(=O)[C@H]4N5CCOCC5)OCc6ccc(cc6)c7ccccc7)N8CCOCC8.O
InChi: InChI=1S/2C29H35NO5.Ca.H2O/c2*31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30;;/h2*1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33);;1H2/q;;+2;/p-2/b2*2-1-;;/t2*25-,27-,29+;;/m11../s1
InChiKey: InChIKey=LPKBPZCMOBTPJA-UJWCKDFLSA-L

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