Name: Compound N064-0037
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT103593670
Cas No:
常用名:Compound N064-0037
IUPAC:methyl (2S,4aS,6aS,6bR,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
IUPAC:methyl (2S,4aS,6aS,6bR,12aS,14bR)-2,4a,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate
InChI key:LHVOTBCQBLBMAB-ZRLKTFCTSA-N

分子式:C31H46O4
分子量:482.705
氢键供体数 (HBD):0
氢键受体数 (HBA):7
LogP:6.452
SMILES:COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1 |c:14|
SMILES:COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)C4[C@@]5(C)CCC(=O)C(C)(C)C5CC[C@@]34C)[C@@H]2C1 |c:14|

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