BETAENONE C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O5
Molecular Weight	366.4917
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	1
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)\C=C/O)[C@@]([H])([C@H](C)CC)[C@](C)(O)C2=O

InChI

InChIKey=YRYPVWAJOMXOHH-ITBWMFDCSA-N

InChI=1S/C21H34O5/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/h8-9,12-14,16-17,22,25-26H,7,10-11H2,1-6H3/b9-8-/t12-,13-,14+,16+,17-,19-,20-,21+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H34O5
Molecular Weight	366.4917
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 8
E/Z Centers	1
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	S651337T8I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BETAENONE C

Common Name

English

1(2H)-NAPHTHALENONE, OCTAHYDRO-2,7-DIHYDROXY-4-((2Z)-3-HYDROXY-1-OXO-2-PROPENYL)-2,4,5,7-TETRAMETHYL-3-((1R)-1-METHYLPROPYL)-, (2S,3R,4R,4AS,5R,7R,8AS)-

Systematic Name

English

BETAENONE C, (-)-

Common Name

English

(-)-BETAENONE C

Common Name

English

(2S,3R,4R,4AS,5R,7R,8AS)-OCTAHYDRO-2,7-DIHYDROXY-4-((2Z)-3-HYDROXY-1-OXO-2-PROPEN-1-YL)-2,4,5,7-TETRAMETHYL-3-((1R)-1-METHYLPROPYL)-1(2H)-NAPHTHALENONE

Systematic Name

English

1(2H)-NAPHTHALENONE, OCTAHYDRO-2,7-DIHYDROXY-4-(3-HYDROXY-1-OXO-2-PROPENYL)-2,4,5,7-TETRAMETHYL-3-(1-METHYLPROPYL)-, (2S-(2.ALPHA.,3.BETA.(S*),4.BETA.(Z),4A.BETA.,5.BETA.,7.ALPHA.,8A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Betaenone C