(4Z,12Z)-20-benzyl-6,22-dihydroxy-17,18-dimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.0¹,¹?.0¹?,¹?]docosa-4,12,21-trien-3-one
AlkaPlorer ID: AK090266
Synonym: None
IUPAC Name: (1S,4E,6R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-6-hydroxy-17,18-dimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione
Structure
SMILES: C[C@H]1[C@H]2[C@H](CC3=CC=CC=C3)N=C(O)[C@]23OC(=O)/C=C/[C@H](O)CCCCC/C=C/[C@H]3[C@@H]2O[C@]12C
InChI: InChI=1S/C28H35NO5/c1-18-24-22(17-19-11-7-6-8-12-19)29-26(32)28(24)21(25-27(18,2)34-25)14-10-5-3-4-9-13-20(30)15-16-23(31)33-28/h6-8,10-12,14-16,18,20-22,24-25,30H,3-5,9,13,17H2,1-2H3,(H,29,32)/b14-10+,16-15+/t18-,20+,21-,22-,24-,25-,27+,28+/m0/s1
InChIKey: WHFRGAGFFDXGCA-IZYCEXTPSA-N
Source
Properties Information
Molecule Weight: 465.5900000000003
TPSA？: 91.65
MolLogP？: 4.326800000000004
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
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