351416-47-2 ((1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione,(1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione)

结构式：

(1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dioneMOL文件

CAS号：

351416-47-2

中文名称：

(1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione

英文名称：

(1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione

分子式：

C₃₃H₄₂O₄

分子量：

502.684190273285

(1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione(351416-47-2)名称与标识符

名称

英文别名：

(1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione;Memorosone;Nemorosone;1-Benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris-(3-methyl-but-2-enyl)-bicyclo[3.3.1]non-3-ene-2,9-dione;SCHEMBL14524549;bicyclo[3.3.1]non-3-ene-2,9-dione, 1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methyl-2-butenyl)-, (1R,5R,7S)-;SCHEMBL14524547;AKOS040755542;351416-47-2;InChI=1/C33H42O4/c1-21(2)14-16-25-20-32(19-18-23(5)6)28(35)26(17-15-22(3)4)29(36)33(30(32)37,31(25,7)8)27(34)24-12-10-9-11-13-24/h9-15,18,25,35H,16-17,19-20H2,1-8H3/t25-,32+,33-/m0/s;rel-(1R,5R,7S)-1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione;CHEMBL583445;(1R,5R,7S)-1-benzoyl-4-hydroxy-8,8-dimethyl-3,5,7-tris(3-methylbut-2-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione;1-Benzoyl-3,5,7-tri-(3-methyl-2-butenyl)-4-hydroxy-8-dimethyl-bicyclo[3.3.1]-3-nonene-2,9-dione;HY-121458;CS-0082127;

标识符

InChIKey：

SYKFHCWMZKYPEA-RFQWPUQQSA-N

Inchi：

1S/C33H42O4/c1-21(2)14-16-25-20-32(19-18-23(5)6)28(35)26(17-15-22(3)4)29(36)33(30(32)37,31(25,7)8)27(34)24-12-10-9-11-13-24/h9-15,18,25,35H,16-17,19-20H2,1-8H3/t25-,32+,33-/m0/s1

SMILES：

O=C1[C@@]2(C/C=C(/C)\C)C(=C(C/C=C(\C)/C)C([C@]1(C(C1C=CC=CC=1)=O)C(C)(C)[C@@H](C/C=C(\C)/C)C2)=O)O

(1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione(351416-47-2)物化性质

计算特性

精确分子量 : 502.30830982g/mol
氢键供体数量 : 1
氢键受体数量 : 4
可旋转化学键数量 : 8
同位素质量 : 502.30830982g/mol
重原子数量 : 37
复杂度 : 1060
同位素原子数量 : 0
确定原子立构中心数量 : 3
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 8.3
拓扑分子极性表面积 : 71.4Å²

(1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione(351416-47-2)推荐厂家更多厂家(3)

公司名称	手机号/电话	联系人	QQ	询单
上海甄准生物科技有限公司	13816009161 021-68920155	姜经理13816009161	3001086693	询单
上海惠诚生物科技有限公司	18018625233	文俊	2303607288	询单
上海赛可锐生物科技有限公司	13003271654 021-58000709	赛可锐生物	3004122151	询单

(1R,5S,7S)-rel-5-benzoyl-4-hydroxy-6,6-dimethyl-1,3,7-tris(3-methyl-2-buten-1-yl)-bicyclo[3.3.1]non-3-ene-2,9-dione(351416-47-2)相关文献

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