Gracillin

Inquiry

For Research Use Only.

Category

Steroids

Cat.No.

NP6112

CAS

19083-00-2

Product Name

Gracillin

Structure

Product Details

Description

Gracillin is a natural steroid isolated from the roots of Dioscorea opposita Thunb. Gracillin shows anti-tumor activity which can induce cell cycle arrest, oxidative stress, and apoptosis in HL60 cells, and has the potential to be developed as an antitumor agent.

Synonyms

(25R)-3β-(2-O-α-L-Rhamnopyranosyl-3-O-β-D-glucopyranosyl-β-D-glucopyranosyloxy)spirosta-5-ene; [(25R)-Spirost-5-en-3β-yl]2-O-(6-deoxy-α-L-mannopyranosyl)-3-O-(β-D-glucopyranosyl)-β-D-glucopyranoside

IUPAC Name

(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Molecular Weight

885.04

Molecular Formula

C45H72O17

Canonical SMILES

CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1

InChI

InChI=1S/C45H72O17/c1-19-8-13-45(55-18-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(53)34(51)31(48)21(3)56-40)38(33(50)29(17-47)59-42)60-41-37(54)35(52)32(49)28(16-46)58-41/h6,19-21,23-42,46-54H,7-18H2,1-5H3/t19-,20+,21+,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34-,35+,36-,37-,38+,39-,40+,41+,42-,43+,44+,45-/m1/s1

InChIKey

YQEMAEKYNNOCBY-IEMDQPGHSA-N

Purity

>98%

Density

1.42g/cm3

Appearance

Powder

Application

anti-tumor

Form

Powder

Products

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