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名称

商陆素

别名

商陆皂苷元

英文别名

10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid | s9218 | OLEAN-12-ENE-28,29-DIOIC ACID, 2,3,23-TRIHYDROXY-, 29-METHYL ESTER, (2.BETA.,3.BETA.,4.ALPH

英文名称

Phytolaccagenin

货号

P414367-100mg

包装规格

100mg

浓度

≥98%

储存温度

-20°C储存

运输条件

超低温冰袋运输

产品介绍

Phytolaccagenin 是一种三萜类皂苷，是植物性舌根的活性成分。Phytolaccagenin 具有抗真菌活性，抗炎活性和较低的毒性。 Information Phytolaccagenin, a triterpenoid saponin, is the active component of Radix Phtolaccae.

生化机理

Phytolaccagenin 是一种三萜类皂苷，是刺五加的活性成分。

CAS号

1802-12-6

分子式

C31H48O7

分子量

532.71 g/mol

EC号

PubChem SID: 504769009

PubChem编号

21594228

Isomeric SMILES

C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC

IIUPAC Name

(2S,4aR,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

INCHI

1S/C31H48O7/c1-26(25(37)38-6)11-13-31(24(35)36)14-12-29(4)18(19(31)15-26)7-8-22-27(2)16-20(33)23(34)28(3,17-32)21(27)9-10-30(22,29)5/h7,19-23,32-34H,8-17H2,1-6H3,(H,35,36)/t19-,20-,21+,22+,23-,26-,27-,28-,29+,30+,31-/m0/s1

InChi Key

CYJWWQALTIKOAG-FLORRLIPSA-N

Smiles

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C(=O)OC

PubChem CID

21594228

PubChem SID

504769009

溶解性

Solubility (25°C) In vitro DMSO: 100 mg/mL (187.71 mM);

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

532.34 Da

单同位素质量Monoisotopic Mass

532.34 Da

拓扑极表面积Topological Polar Surface Area

124.000 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

1050.000

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

4.500

ALogP

3.758

DMSO(mg / mL) Max Solubility

100

DMSO(mM) Max Solubility

187.71988333885

HBD Count

Rotatable Bond

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

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