BETAENONE E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H34O4
Molecular Weight	338.4816
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(C)=O)[C@@]([H])([C@H](C)CC)[C@](C)(O)C2=O

InChI

InChIKey=BXYJNGPPYVDNSK-GBLNRLCBSA-N

InChI=1S/C20H34O4/c1-8-11(2)16-19(6,13(4)21)15-12(3)9-18(5,23)10-14(15)17(22)20(16,7)24/h11-12,14-16,23-24H,8-10H2,1-7H3/t11-,12-,14+,15+,16-,18-,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H34O4
Molecular Weight	338.4816
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 13:05:53 GMT 2023` Edited by `admin` on `Sat Dec 16 13:05:53 GMT 2023`
Record UNII	W1W8SL684W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETAENONE E

Common Name

English

1(2H)-NAPHTHALENONE, 4-ACETYLOCTAHYDRO-2,7-DIHYDROXY-2,4,5,7-TETRAMETHYL-3-(1-METHYLPROPYL)-, (2S-(2.ALPHA.,3.BETA.(S*),4.BETA.,4A.BETA.,5.BETA.,7.ALPHA.,8A.ALPHA.))-

Systematic Name

English

1(2H)-NAPHTHALENONE, 4-ACETYLOCTAHYDRO-2,7-DIHYDROXY-2,4,5,7-TETRAMETHYL-3-((1R)-1-METHYLPROPYL)-, (2S,3R,4R,4AS,5R,7R,8AS)-

Systematic Name

English

Code System Code Type Description

FDA UNII

W1W8SL684W

Created by admin on Sat Dec 16 13:05:53 GMT 2023 , Edited by admin on Sat Dec 16 13:05:53 GMT 2023

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PUBCHEM

102093875

Created by admin on Sat Dec 16 13:05:53 GMT 2023 , Edited by admin on Sat Dec 16 13:05:53 GMT 2023

PRIMARY

CAS

88899-17-6

Created by admin on Sat Dec 16 13:05:53 GMT 2023 , Edited by admin on Sat Dec 16 13:05:53 GMT 2023

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