Pseudobufarenogin

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C24H32O6
Molecular Weight	416.5073
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12CC[C@]3([H])[C@]([H])(C(=O)[C@H](O)[C@]4(C)[C@H](CC[C@]34O)C5=COC(=O)C=C5)[C@@]1(C)CC[C@H](O)C2

InChI

InChIKey=SOGONHOGEFLVPE-BHZHDSHXSA-N

InChI=1S/C24H32O6/c1-22-9-7-15(25)11-14(22)4-5-17-19(22)20(27)21(28)23(2)16(8-10-24(17,23)29)13-3-6-18(26)30-12-13/h3,6,12,14-17,19,21,25,28-29H,4-5,7-11H2,1-2H3/t14-,15+,16-,17-,19-,21+,22+,23+,24+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C24H32O6
Molecular Weight	416.5073
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:59:31 GMT 2023` Edited by `admin` on `Sat Dec 16 17:59:31 GMT 2023`
Record UNII	G2C8C6T2N2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Pseudobufarenogin

Common Name

English

ψ-Bufarenogin

Common Name

English

5β-Bufa-20,22-dienolide, 3β,12α,14-trihydroxy-11-oxo-

Common Name

English

(3β,5β,12α)-3,12,14-Trihydroxy-11-oxobufa-20,22-dienolide

Systematic Name

English

5-((3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-11-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2H-pyran-2-one

Systematic Name

English

Bufa-20,22-dienolide, 3,12,14-trihydroxy-11-oxo-, (3β,5β,12α)-

Common Name

English

Code System Code Type Description

PUBCHEM

204810

Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023

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FDA UNII

G2C8C6T2N2

Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023

PRIMARY

EPA CompTox

DTXSID601317654

Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023

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CAS

17008-69-4

Created by admin on Sat Dec 16 17:59:31 GMT 2023 , Edited by admin on Sat Dec 16 17:59:31 GMT 2023

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