1-Cinnamoyltrichilinin
HIT219228837
sdf文件结构编辑类似物检索
HIT ID: HIT219228837
Cas No: 117869-72-4
分子式: C39H46O9
分子量: 658.788
常用名: 1-Cinnamoyltrichilinin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,2R,4S,5S,6S,10R,11S,12R,15R,16R,18S,19R)-4,16-bis(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-18-yl (2E)-3-phenylprop-2-enoate
IUPAC: (1R,2R,4S,5S,6S,10R,11S,12R,15R,16R,18S,19R)-4,16-bis(acetyloxy)-6-(furan-3-yl)-11-hydroxy-1,5,10,15-tetramethyl-13-oxapentacyclo[10.6.1.0^{2,10}.0^{5,9}.0^{15,19}]nonadec-8-en-18-yl (2E)-3-phenylprop-2-enoate
SMILES: [H][C@@]12OC[C@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4)[C@@](C)([C@@]13[H])[C@@]1([H])C[C@H](OC(C)=O)[C@@]3(C)[C@@H](CC=C3[C@]1(C)[C@@H]2O)c1ccoc1)OC(C)=O
SMILES: [H][C@@]12OC[C@]3(C)[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4)[C@@](C)([C@@]13[H])[C@@]1([H])C[C@H](OC(C)=O)[C@@]3(C)[C@@H](CC=C3[C@]1(C)[C@@H]2O)c1ccoc1)OC(C)=O
InChI key: DGVWCAONVNVPRJ-PSAXZYJKSA-N
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