(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3S,4S,5S)-5-Ethyl-3,4-dihydroxy-6-methyl-2-heptanyl]-5,6-dihydroxy-7a,9a-dimethylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one（CAS号：80483-89-2）

芸苔素内酯

基本信息

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CAS号

80483-89-2

分子式

C29H50O6

分子量

494.71 g/mol

化学分类

基础化工原料有机化学品羧酸类

基础化工原料有机化学品酯类

基础化工原料有机化学品醚类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品表面活性剂阴离子表面活性剂

聚合物和塑料热塑性塑料聚烯烃

实验室化学品科研化学品生化试剂

基本物理性质

熔点

193-194°C

沸点

633.5°C at 760 mmHg

密度

1.103

闪点

199.6°C

折射率

1.526

SMILES

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CCC(C(C)C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O

InChI

InChI=1S/C29H50O6/c1-7-17(15(2)3)26(33)25(32)16(4)19-8-9-20-18-14-35-27(34)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-33H,7-14H2,1-6H3/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25-,26-,28+,29+/m0/s1

InChIKey

HJIKODJJEORHMZ-DNVPGCTHSA-N

LogP

3.7801000000000045

拓扑极性表面积

107.22000000000001 Å²

氢键供体/受体

4 / 6

复杂度

770

同义词与引用数据

英文

Isohomobrassinolide
6H-Benz[c]indeno[5,4-e]oxepin-6-one,1-[(1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-,(1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
22(S),23(S)-Homobrassinolide
28-EPIHOMOBRASSINOLIDE
DTXSID70897328
UNII-X4T52AD9TQ
(1S,2R,4R,5S,7S,11S,12S,15R,16S)-15-[(2S,3S,4S,5S)-5-ethyl-3,4-dihydroxy-6-methylheptan-2-yl]-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
AKOS040758567
HOMOBRASSINOLIDE, (22S,23S)-
22,23-DIEPI-28-HOMOBRASSINOLIDE
HY-112102
(22S,23S)-28-Homo Brassinolide
15-(5-Ethyl-3,4-dihydroxy-6-methylheptan-2-yl)-4,5-dihydroxy-2,16-dimethyl-9-oxatetracyclo[9.7.0.02,7.012,16]octadecan-8-one
CHEMBL1801919
1ST15471
6H-Benz[c]indeno[5,4-e]oxepin-6-one, 1-[(1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl]hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
(22S,23S)-homobrassinolide
(22S,23S)-28-HOMOBRASSINOLIDE
80483-89-2
X4T52AD9TQ
CS-0043351
Q27293556
6H-Benz(c)indeno(5,4-e)oxepin-6-one, 1-((1S,2S,3S,4S)-4-ethyl-2,3-dihydroxy-1,5-dimethylhexyl)hexadecahydro-8,9-dihydroxy-10a,12a-dimethyl-, (1R,3aS,3bS,6aS,8S,9R,10aR,10bS,12aS)-
BR-120
MS-29190
SSHB
22(S),23(S)-homobrassinolide
28-Homobrassinolide
(22R)-22-hydroxycholesterol
(22S)-22-Hydroxycholesterol
22(S)-hydroxycholesterol

中文

芸苔素内酯
油菜素内酯
八仙丰产素
28-表高油菜素内酯
油菜素甾醇内酯

MDL号

MFCD04973608

常见问题

什么是芸苔素内酯(CAS号：80483-89-2)？

芸苔素内酯是一种内源性植物激素，其化学名为(3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3S,4S,5S)-5-乙基-3,4-二羟基-6-甲基-2-庚基]-5,6-二羟基-7a,9a-二甲基十六氢-3H-苯并[c]吲哚[5,4-e]氧杂环庚烯-3-酮。芸苔素内酯在植物生长发育中具有重要作用，可促进植物生长、提高抗逆性等。