Name: Kitol
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214319628
Cas No:4626-00-0
常用名:Kitol
别名:Kitol B, Kitol A
IUPAC:[(1R,2S,5S,6R)-2-(hydroxymethyl)-3,6-dimethyl-5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)buta-1,3-dien-1-yl]-6-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]cyclohex-3-en-1-yl]methanol
IUPAC:[(1R,2S,5S,6R)-2-(hydroxymethyl)-3,6-dimethyl-5-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohex-1-en-1-yl)buta-1,3-dien-1-yl]-6-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethylcyclohex-1-en-1-yl)hexa-1,3,5-trien-1-yl]cyclohex-3-en-1-yl]methanol
InChI key:NTTHYVALAYBGDV-WHFXJCNXSA-N

分子式:C40H60O2
分子量:572.918
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/[C@@]1(C)[C@H](CO)[C@H](CO)C(C)=C[C@@H]1\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:4,26,35|
SMILES:C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/[C@@]1(C)[C@H](CO)[C@H](CO)C(C)=C[C@@H]1\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |c:4,26,35|

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