3-(ACETYLOXY)-5,14,19-TRIHYDROXY-BUFA-20,22-DIENOLIDE, (3.BETA.,5.BETA.)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H36O7
Molecular Weight	460.5598
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(ACETYLOXY)-5,14,19-TRIHYDROXY-BUFA-20,22-DIENOLIDE, (3.BETA.,5.BETA.)-

Structure Search

SMILES

[H][C@@]12CC[C@]3(O)C[C@H](CC[C@]3(CO)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@]24O)C5=COC(=O)C=C5)OC(C)=O

InChI

InChIKey=GBSYMBLHPNJBLH-XDFZRXKSSA-N

InChI=1S/C26H36O7/c1-16(28)33-18-5-10-24(15-27)20-6-9-23(2)19(17-3-4-22(29)32-14-17)8-12-26(23,31)21(20)7-11-25(24,30)13-18/h3-4,14,18-21,27,30-31H,5-13,15H2,1-2H3/t18-,19+,20-,21+,23+,24-,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H36O7
Molecular Weight	460.5598
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:15:17 GMT 2023` Edited by `admin` on `Sat Dec 16 08:15:17 GMT 2023`
Record UNII	WF8O36W7ZI
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-(ACETYLOXY)-5,14,19-TRIHYDROXY-BUFA-20,22-DIENOLIDE, (3.BETA.,5.BETA.)-

Common Name

English

BUFA-20,22-DIENOLIDE, 3-(ACETYLOXY)-5,14,19-TRIHYDROXY-, (3.BETA.,5.BETA.)-

Systematic Name

English

5-BETA-BUFA-20,22-DIENOLIDE, 3-BETA,5,14,19-TETRAHYDROXY-, 3-ACETATE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID90905873

Created by admin on Sat Dec 16 08:15:17 GMT 2023 , Edited by admin on Sat Dec 16 08:15:17 GMT 2023

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FDA UNII

WF8O36W7ZI

Created by admin on Sat Dec 16 08:15:17 GMT 2023 , Edited by admin on Sat Dec 16 08:15:17 GMT 2023

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CAS

100991-83-1

Created by admin on Sat Dec 16 08:15:17 GMT 2023 , Edited by admin on Sat Dec 16 08:15:17 GMT 2023

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PUBCHEM

92043769

Created by admin on Sat Dec 16 08:15:17 GMT 2023 , Edited by admin on Sat Dec 16 08:15:17 GMT 2023

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