BETAENONE B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H36O5
Molecular Weight	368.5075
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@](C)(O)C[C@@H](C)[C@]1([H])[C@@](C)(C(=O)CCO)[C@@]([H])([C@H](C)CC)[C@](C)(O)C2=O

InChI

InChIKey=PUZNAAVWFXQUDM-HBKHSIGZSA-N

InChI=1S/C21H36O5/c1-7-12(2)17-20(5,15(23)8-9-22)16-13(3)10-19(4,25)11-14(16)18(24)21(17,6)26/h12-14,16-17,22,25-26H,7-11H2,1-6H3/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H36O5
Molecular Weight	368.5075
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:50:46 GMT 2023` Edited by `admin` on `Fri Dec 15 18:50:46 GMT 2023`
Record UNII	C9873620HS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETAENONE B

Common Name

English

(2S,3R,4R,4AS,5R,7R,8AS)-3-SEC-BUTYL-2,7-DIHYDROXY-4-(3-HYDROXYPROPANOYL)-2,4,5,7-TETRAMETHYLOCTAHYDRONAPHTHALEN-1(2H)-ONE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40234463