(1R,4R,6R,7R,17R)-7-(acetyloxy)-4-[(1R)-1-chloroethyl]-4-hydroxy-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadec-11-en-14-ium-17-olate
AlkaPlorer ID: AK325091
Synonym: None
IUPAC Name: None
Structure
SMILES: CC(=O)O[C@@]1(C)C(=O)OCC2=CC[N@@+]3(C)CC[C@@H](OC(=O)[C@@](O)([C@@H](C)Cl)C[C@H]1C)[C@]23[O-]
InChI: InChI=1S/C21H30ClNO8/c1-12-10-20(27,13(2)22)18(26)30-16-7-9-23(5)8-6-15(21(16,23)28)11-29-17(25)19(12,4)31-14(3)24/h6,12-13,16,27H,7-11H2,1-5H3/t12-,13-,16-,19-,20+,21-,23+/m1/s1
InChIKey: BMNDULXOIDYUMN-AMJGAZMZSA-N
Source
Properties Information
Molecule Weight: 459.9230000000002
TPSA？: 122.19
MolLogP？: 0.0083000000000017
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 3
Activities Information
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