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

CC[C@@H](C)[C@H]1[C@](C)(O)C(=O)[C@H]2C[C@](C)(O)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO

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	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:22:22 GMT 2025` Edited by `admin` on `Mon Mar 31 19:22:22 GMT 2025`
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

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID40234463