Org-33628
HIT214318590
sdf文件结构编辑类似物检索
HIT ID: HIT214318590
Cas No: 155768-17-5
分子式: C30H34O3
分子量: 442.599
常用名: Org-33628
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (1R,3aS,3bS,10R,11aS)-10-(4-acetylphenyl)-11a-methyl-3'-methylidene-2,3,3a,3b,4,5,7,8,9,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-7-one
IUPAC: (1R,3aS,3bS,10R,11aS)-10-(4-acetylphenyl)-11a-methyl-3'-methylidene-2,3,3a,3b,4,5,7,8,9,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolan]-7-one
SMILES: [H][C@@]12CC[C@]3(OCCC3=C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)=O |c:16,22|
SMILES: [H][C@@]12CC[C@]3(OCCC3=C)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)C(C)=O |c:16,22|
InChI key: YNWTZVKFWBTFFE-ONBAZCQBSA-N
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