Daturataturin A

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For Research Use Only.

Category

Steroids

Cat.No.

NP6238

CAS

133360-51-7

Product Name

Daturataturin A

Structure

Product Details

Description

Daturataturin A is a natural steroid found in the herbs of Datura tatura. Daturataturin A has acetylcholinesterase inhibitory property.

Synonyms

(22R)-7α,22-Dihydroxy-1-oxo-27-(β-D-glucopyranosyloxy)ergosta-2,5,24-trien-26-oic acid δ-lactone

IUPAC Name

(2R)-2-[(1S)-1-[(7S,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydropyran-6-one

Molecular Weight

616.8

Molecular Formula

C34H48O10

Canonical SMILES

CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3C(C=C5C4(C(=O)C=CC5)C)O)C)COC6C(C(C(C(O6)CO)O)O)O

InChI

InChI=1S/C34H48O10/c1-16-12-24(43-31(41)19(16)15-42-32-30(40)29(39)28(38)25(14-35)44-32)17(2)20-8-9-21-27-22(10-11-33(20,21)3)34(4)18(13-23(27)36)6-5-7-26(34)37/h5,7,13,17,20-25,27-30,32,35-36,38-40H,6,8-12,14-15H2,1-4H3/t17-,20+,21-,22-,23+,24+,25+,27-,28+,29-,30+,32+,33+,34-/m0/s1

InChIKey

FYXDMSFPWCORTF-UWOSJZGMSA-N

Purity

>95%

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