2571-22-4
2571-22-4 结构式
基本信息
中文别名
羟基马桑毒素羟基马桑内酯
羟基马桑毒内酯
英文别名
TutuTUTIN
Tutine
Toot poison
(7R,8R)-1aβ,1b,5,6,6a,7aβ-Hexahydro-1bα,6β-dihydroxy-6aα-methyl-8-(1-methylethenyl)spiro[2α,5α-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepine-7,2'-oxiran]-3(2H)-one
Spiro[2,5-methano-7H-oxireno[3,4]cyclopent[1,2-d]oxepin-7,2'-oxiran]-3(2H)-one, hexahydro-1b,6-dihydroxy-6a-methyl-8-(1-methylethenyl)-, (1aS,1bR,2S,2'R,5R,6S,6aR,7aR,8R)-
Spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-D)oxepin-7,2'-oxiran)-3(2ah)-one, 1A-beta,1B,5A,6,6A,7A-beta-hexahydro-1B-alpha,6-beta-dihydroxy-8A-isopropenyl-6A-alpha-methyl-
(1As-(1aalpha,1bbeta,2beta,5beta,6alpha,6abeta,7beta,7aalpha,8S*))-hexahydro-1B,6-dihydroxy-6A-methyl-8-(1-methylethenyl)spiro(2,5-methano-7H-oxireno(3,4)cyclopent(1,2-D)oxepin-7,2'-oxiran)-3(2alpha H)-one
所属类别
生物化工：中草药成分物理化学性质
熔点209-212°; mp 204-205° (Wakamatsu)
比旋光度D20 +9.25° (alc); D17 +13.9° (c = 0.75, methanol)
沸点356.07°C (rough estimate)
密度1.1975 (rough estimate)
折射率1.4359 (estimate)
储存条件-20°C
酸度系数(pKa)12.83±0.70(Predicted)
主要应用cleaning products
cosmetics
food and beverages
personal care
cosmetics
food and beverages
personal care
InChI1S/C15H18O6/c1-5(2)6-7-12(17)20-8(6)9(16)13(3)14(4-19-14)10-11(21-10)15(7,13)18/h6-11,16,18H,1,4H2,2-3H3/t6-,7+,8+,9+,10+,11-,13-,14+,15-/m0/s1
InChIKeyCCAZWUJBLXKBAY-ULZPOIKGSA-N
SMILESO1[C@@]2([C@@H]3O[C@@H]3[C@@]4([C@]2([C@@H]([C@@H]5OC(=O)[C@H]4[C@@H]5C(=C)C)O)C)O)C1
LogP1.380 (est)
安全数据
警示词危险
危险性描述H301
WGK GermanyWGK 2
存储类别3 - Flammable liquids
危险性类别Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Flam. Liq. 2
毒性LD50 i.p. in female mice: 3.0 mg/kg (Jarboe)