BUFALIN SULFATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H34O7S
Molecular Weight	466.588
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](CC[C@]34C)OS(O)(=O)=O)[C@@]1(O)CC[C@@H]2C5=COC(=O)C=C5

InChI

InChIKey=DSXQIXUWAMDIKX-BMPKRDENSA-N

InChI=1S/C24H34O7S/c1-22-10-7-17(31-32(27,28)29)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)26)15-3-6-21(25)30-14-15/h3,6,14,16-20,26H,4-5,7-13H2,1-2H3,(H,27,28,29)/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H34O7S
Molecular Weight	466.588
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 `Mon Mar 31 21:53:47 GMT 2025` Edited by `admin` on `Mon Mar 31 21:53:47 GMT 2025`
Record UNII	44Z7MIJ214
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BUFALIN 3-SULFATE

Preferred Name

English

BUFALIN SULFATE

Common Name

English

BUFA-20,22-DIENOLIDE, 14-HYDROXY-3-(SULFOOXY)-, (3.BETA.,5.BETA.)-

Systematic Name

English

Code System Code Type Description

FDA UNII

44Z7MIJ214

Created by admin on Mon Mar 31 21:53:48 GMT 2025 , Edited by admin on Mon Mar 31 21:53:48 GMT 2025

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EPA CompTox

DTXSID60969866

Created by admin on Mon Mar 31 21:53:48 GMT 2025 , Edited by admin on Mon Mar 31 21:53:48 GMT 2025

PRIMARY

PUBCHEM

21155972

Created by admin on Mon Mar 31 21:53:48 GMT 2025 , Edited by admin on Mon Mar 31 21:53:48 GMT 2025

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CAS

54603-10-0

Created by admin on Mon Mar 31 21:53:48 GMT 2025 , Edited by admin on Mon Mar 31 21:53:48 GMT 2025

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