Name: 6α-Chloro-5β-hydroxywithaferin A
Rating: 5 (10 reviews)

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HIT ID:HIT212665217
Cas No:52329-20-1
常用名:6α-Chloro-5β-hydroxywithaferin A
常用名:6α-Chloro-5β-hydroxywithaferin A
别名:6α-氯-5β-羟基醉茄内酯 A, 6alpha-Chloro-5beta-hydroxywithaferin A
别名:6α-氯-5β-羟基醉茄内酯 A, 6alpha-Chloro-5beta-hydroxywithaferin A
IUPAC:(6R)-6-[(1S)-1-[(1R,3aS,3bS,5S,5aR,6S,9aR,9bS,11aS)-5-chloro-5a,6-dihydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
IUPAC:(6R)-6-[(1S)-1-[(1R,3aS,3bS,5S,5aR,6S,9aR,9bS,11aS)-5-chloro-5a,6-dihydroxy-9a,11a-dimethyl-9-oxo-1H,2H,3H,3aH,3bH,4H,5H,5aH,6H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]ethyl]-3-(hydroxymethyl)-4-methyl-5,6-dihydro-2H-pyran-2-one
InChI key:YCFROFMCBMCGDC-PNJOURQRSA-N

分子式:C28H39ClO6
分子量:507.06
氢键供体数 (HBD):3
氢键受体数 (HBA):5
LogP:3.7748623
SMILES:C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1 |c:14,t:32|
SMILES:C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)[C@@H](O)C=CC(=O)[C@]4(C)[C@H]3CC[C@]12C)[C@H]1CC(C)=C(CO)C(=O)O1 |c:14,t:32|

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