Acetylgynuramine
AlkaPlorer ID: AK004180
Synonym: None
IUPAC Name: [(1R,4Z,6S,7R,17R)-4-ethylidene-7-hydroxy-7-methyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-en-6-yl]methyl acetate
Structure
SMILES: C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)COC(=O)C
InChI: InChI=1S/C20H27NO7/c1-4-13-9-15(11-26-12(2)22)20(3,25)19(24)27-10-14-5-7-21-8-6-16(17(14)21)28-18(13)23/h4-5,15-17,25H,6-11H2,1-3H3/b13-4-/t15-,16+,17+,20+/m0/s1
InChIKey: JAWLPMQZKYJXPI-CZALMGRGSA-N
Source
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Properties Information
Molecule Weight: 393.43600000000015
TPSA？: 102.37
MolLogP？: 0.736
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 3
Activities Information
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