(1R,4S,5S,9R,12R,13S,14R,15R,16S,17R)-16-hydroxy-9-methyl-15-{[(2E)-2-methylbut-2-enoyl]oxy}-19-methylidene-11-azahexacyclo[12.3.2.0¹,¹³.0⁴,⁹.0⁵,¹².0⁵,¹⁷]nonadec-10-en-11-ium-11-olate
AlkaPlorer ID: AK325286
Synonym: None
IUPAC Name: None
Structure
SMILES: C=C1C[C@]23CC[C@H]4[C@]56CCC[C@@]4(C)C=[N+]([O-])[C@@H]5[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)[C@@H](O)[C@H]36
InChI: InChI=1S/C25H33NO4/c1-5-13(2)22(28)30-19-16-14(3)11-24-10-7-15-23(4)8-6-9-25(15,20(24)18(19)27)21(17(16)24)26(29)12-23/h5,12,15-21,27H,3,6-11H2,1-2,4H3/b13-5+/t15-,16+,17-,18-,19-,20-,21-,23+,24-,25+/m1/s1
InChIKey: TUKWHQGOEXATAJ-BUBISMQQSA-N
Source
Properties Information
Molecule Weight: 411.54200000000014
TPSA？: 72.6
MolLogP？: 3.5973000000000024
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
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