Name: Compound N016-0008
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT211512859
Cas No:-
常用名:Compound N016-0008
IUPAC:butyl 6-{[(6aR,6bS,8aS,11S,14bS)-11-(butoxycarbonyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[6-(butoxycarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylate
IUPAC:butyl 6-{[(6aR,6bS,8aS,11S,14bS)-11-(butoxycarbonyl)-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[6-(butoxycarbonyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylate
InChI key:OEHZWWRJBNGPNB-KEICPYMMSA-N

分子式:C54H86O16
分子量:991.266
氢键供体数 (HBD):5
氢键受体数 (HBA):20
LogP:8.4298
SMILES:CCCCOC(=O)C1OC(OC2C(O)C(O)C(OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)OCCCC)C2(C)C)C(=O)OCCCC)C(O)C(O)C1O |t:35,@:54|
SMILES:CCCCOC(=O)C1OC(OC2C(O)C(O)C(OC2OC2CC[C@@]3(C)C(CC[C@]4(C)C3C(=O)C=C3C5C[C@](C)(CC[C@]5(C)CC[C@@]43C)C(=O)OCCCC)C2(C)C)C(=O)OCCCC)C(O)C(O)C1O |t:35,@:54|

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