13-Deoxy-Isogibberellic acid
HIT212523921
sdf文件结构编辑类似物检索
HIT ID: HIT212523921
Cas No: n.g.
分子式: C19H22O5
分子量: 330.38
常用名: 13-Deoxy-Isogibberellic acid
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 1.395
IUPAC: (1R,2S,3S,4S,7R,10R,13R,17R)-17-hydroxy-4-methyl-14-methylidene-5-oxo-6-oxapentacyclo[11.2.1.1^{4,7}.0^{1,10}.0^{3,9}]heptadec-8-ene-2-carboxylic acid
IUPAC: (1R,2S,3S,4S,7R,10R,13R,17R)-17-hydroxy-4-methyl-14-methylidene-5-oxo-6-oxapentacyclo[11.2.1.1^{4,7}.0^{1,10}.0^{3,9}]heptadec-8-ene-2-carboxylic acid
SMILES: [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@@]1([H])C2=C[C@H]2OC(=O)[C@]1(C)[C@H]2O |t:19|
SMILES: [H][C@@]12CC[C@@H]3C[C@]1(CC3=C)[C@@H](C(O)=O)[C@@]1([H])C2=C[C@H]2OC(=O)[C@]1(C)[C@H]2O |t:19|
InChI key: NIYWWSSZSAHRIW-TXVGEWSDSA-N
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