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Product details

名称

升麻素苷

分子类型

小分子

英文别名

英文名称

Prim-o-glucosylcimifugin

货号

P426091-1ml

包装规格

1ml

浓度

10mM in DMSO

储存温度

-80℃储存

运输条件

超低温冰袋运输

CAS号

80681-45-4

分子式

C22H28O11

分子量

468.46 g/mol

PubChem编号

14034912

Isomeric SMILES

CC(C)([C@@H]1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)CO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O

IIUPAC Name

(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrofuro[3,2-g]chromen-5-one

INCHI

1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21-/m1/s1

InChi Key

XIUVHOSBSDYXRG-UVTAEQIVSA-N

Smiles

CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)O)O

熔点

132-133°C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

468.163 Da

单同位素质量Monoisotopic Mass

468.163 Da

拓扑极表面积Topological Polar Surface Area

164.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

755.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

-0.900

沸点

736.9°C

Reaxy-Rn

62158776

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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