Alisol B - 18649-93-9

Alisol B

Catalog Number: EVT-253736
CAS Number: 18649-93-9
Molecular Formula: C30H48O4
Molecular Weight: 472.7 g/mol
The product is for non-human research only. Not for therapeutic or veterinary use.
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Product Introduction

Description
Alisol B is a triterpenoid compound that is found in the roots of Alisma orientale, a medicinal plant that is commonly used in traditional Chinese medicine. Alisol B has been found to possess a wide range of biological activities, including anti-inflammatory, anti-tumor, and anti-diabetic effects.

Properties

CAS Number

18649-93-9

Product Name

Alisol B

IUPAC Name

(8S,9S,10S,11S,14R)-17-[(2R)-4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-11-hydroxy-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one

Molecular Formula

C30H48O4

Molecular Weight

472.7 g/mol

InChI

InChI=1S/C30H48O4/c1-17(15-21(32)25-27(4,5)34-25)18-9-13-29(7)19(18)16-20(31)24-28(6)12-11-23(33)26(2,3)22(28)10-14-30(24,29)8/h17,20-22,24-25,31-32H,9-16H2,1-8H3/t17-,20+,21?,22?,24+,25?,28+,29+,30+/m1/s1

InChI Key

GBJKHDVRXAVITG-DXYWBWDESA-N

SMILES

CC(CC(C1C(O1)(C)C)O)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)O

Synonyms

alisol B

Canonical SMILES

CC(CC(C1C(O1)(C)C)O)C2=C3CC(C4C5(CCC(=O)C(C5CCC4(C3(CC2)C)C)(C)C)C)O

Isomeric SMILES

C[C@H](CC(C1C(O1)(C)C)O)C2=C3C[C@@H]([C@H]4[C@]5(CCC(=O)C(C5CC[C@@]4([C@]3(CC2)C)C)(C)C)C)O

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