Compound N038-0221
HIT211512902
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HIT ID: HIT211512902
Cas No: -
分子式: C22H31NO4
分子量: 373.493
常用名: Compound N038-0221
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 1.351
IUPAC: (7R,10S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylidene-4-oxo-12-azahexacyclo[8.7.1.1^{5,8}.0^{1,11}.0^{2,8}.0^{14,18}]nonadecan-12-ium-12-olate
IUPAC: (7R,10S,14R,17S)-12-ethyl-7,17-dihydroxy-14-methyl-6-methylidene-4-oxo-12-azahexacyclo[8.7.1.1^{5,8}.0^{1,11}.0^{2,8}.0^{14,18}]nonadecan-12-ium-12-olate
SMILES: CC[N+]1([O-])C[C@]2(C)CC[C@H](O)C34C2[C@H](CC25CC(C(=C)[C@H]2O)C(=O)CC35)C14 |TLB:2:26:12:15.25.14,1:2:12:9.7.8,THB:13:26:12:9.7.8,14:13:11:2.5.4,3:2:12:9.7.8|
SMILES: CC[N+]1([O-])C[C@]2(C)CC[C@H](O)C34C2[C@H](CC25CC(C(=C)[C@H]2O)C(=O)CC35)C14 |TLB:2:26:12:15.25.14,1:2:12:9.7.8,THB:13:26:12:9.7.8,14:13:11:2.5.4,3:2:12:9.7.8|
InChI key: YSZTYEFJOQWJGA-CXKNNBMPSA-N
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