5,9-dihydroxy-6,20,22-trimethoxy-17-(methoxymethyl)-10,14-dimethyl-14-azahexacyclo[9.9.2.1²,?.0¹,¹².0³,¹?.0¹?,²¹]tricosan-4-yl benzoate
AlkaPlorer ID: AK088945
Synonym: None
IUPAC Name: [5,9-dihydroxy-6,20,22-trimethoxy-17-(methoxymethyl)-10,14-dimethyl-14-azahexacyclo[9.9.2.12,5.01,12.03,10.017,21]tricosan-4-yl] benzoate
Structure
SMILES: COCC12CCC(OC)C34C(CN(C)CC1)C(C(OC)C23)C1(C)C(O)CCC(OC)C2(O)CC4C1C2OC(=O)C1=CC=CC=C1
InChI: InChI=1S/C36H53NO8/c1-33-24(38)12-13-25(42-4)35(40)18-22(28(33)31(35)45-32(39)21-10-8-7-9-11-21)36-23-19-37(2)17-16-34(20-41-3,15-14-26(36)43-5)30(36)29(44-6)27(23)33/h7-11,22-31,38,40H,12-20H2,1-6H3
InChIKey: OSOKHVIUAUBKGK-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 627.8190000000003
TPSA？: 106.92000000000002
MolLogP？: 3.409500000000003
Number of H-Donors: 2
Number of H-Acceptors: 9
RingCount: 7
Activities Information
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