BETAENONE D

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H36O6
Molecular Weight	384.5069
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@@](O)(CO)C[C@@H](C)[C@@H]2[C@@]1(C)C(=O)CCO

InChI

InChIKey=GZZDPJWUAOGKFV-CIFXNPCASA-N

InChI=1S/C21H36O6/c1-6-12(2)17-19(4,15(24)7-8-22)16-13(3)9-21(27,11-23)10-14(16)18(25)20(17,5)26/h12-14,16-17,22-23,26-27H,6-11H2,1-5H3/t12-,13-,14+,16+,17-,19-,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H36O6
Molecular Weight	384.5069
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 `Tue Apr 01 20:10:17 GMT 2025` Edited by `admin` on `Tue Apr 01 20:10:17 GMT 2025`
Record UNII	58VL774K2X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETAENONE D

Common Name

English

1(2H)-NAPHTHALENONE, OCTAHYDRO-2,7-DIHYDROXY-7-(HYDROXYMETHYL)-4-(3-HYDROXY-1-OXOPROPYL)-2,4,5-TRIMETHYL-3-((1R)-1-METHYLPROPYL)-, (2S,3R,4R,4AS,5R,7R,8AS)-

Preferred Name

English

1(2H)-NAPHTHALENONE, OCTAHYDRO-2,7-DIHYDROXY-7-(HYDROXYMETHYL)-4-(3-HYDROXY-1-OXOPROPYL)-2,4,5-TRIMETHYL-3-(1-METHYLPROPYL)-, (2S-(2.ALPHA.,3.BETA.(S*),4.BETA.,4A.BETA.,5.BETA.,7.ALPHA.,8A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

FDA UNII

58VL774K2X

Created by admin on Tue Apr 01 20:10:17 GMT 2025 , Edited by admin on Tue Apr 01 20:10:17 GMT 2025

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CAS

88899-16-5

Created by admin on Tue Apr 01 20:10:17 GMT 2025 , Edited by admin on Tue Apr 01 20:10:17 GMT 2025

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PUBCHEM

102093873

Created by admin on Tue Apr 01 20:10:17 GMT 2025 , Edited by admin on Tue Apr 01 20:10:17 GMT 2025

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