(2S,3'S,4'R,4aS,5'E,8'R,9'S,9aR)-8'-[(6S)-6-[(1S)-3-(2-ammonioethyl)cyclopent-2-en-1-yl]-7-oxoheptyl]-4'-(dihydroxymethyl)-9'-(4-hydroxy-3-pentylphenyl)-3,4,4a,9a-tetrahydro-1H-spiro[anthracene-2,2'-bicyclo[9.3.1]pentadecane]-1'(15'),5',11',13'-tetraene-3
AlkaPlorer ID: AK363350
Synonym: None
IUPAC Name: 8'-[6-[3-(2-aminoethyl)cyclopent-2-en-1-yl]-7-oxoheptyl]-4'-(dihydroxymethyl)-9'-(4-hydroxy-3-pentylphenyl)spiro[2,4,4a,9a-tetrahydro-1H-anthracene-3,2'-bicyclo[9.3.1]pentadeca-1(14),5,11(15),12-tetraene]-3'-carboxylic acid
Structure
SMILES: CCCCCC1=CC(C2CC3=CC=CC(=C3)C3(CCC4C=C5C=CC=CC5=CC4C3)C(C(=O)O)C(C(O)O)C=CCC2CCCCCC(C=O)C2C=C(CCN)CC2)=CC=C1O
InChI: InChI=1S/C55H71NO6/c1-2-3-5-16-45-34-44(23-24-51(45)58)50-31-38-12-10-19-48(30-38)55(27-25-43-32-40-14-8-9-15-41(40)33-47(43)35-55)52(54(61)62)49(53(59)60)20-11-18-39(50)13-6-4-7-17-46(36-57)42-22-21-37(29-42)26-28-56/h8-12,14-15,19-20,23-24,29-30,32-34,36,39,42-43,46-47,49-50,52-53,58-60H,2-7,13,16-18,21-22,25-28,31,35,56H2,1H3,(H,61,62)
InChIKey: DCWVKHSHZCFKLR-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 842.1739999999994
TPSA？: 141.08
MolLogP？: 9.034700000000006
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 7
Activities Information
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