Betaenone A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H34O5
Molecular Weight	366.4917
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@@H](C)[C@H]1[C@](C)(O)[C@]2(O)[C@H]3C[C@](C)(O)C[C@@H](C)[C@@H]3[C@@]1(C)C(=O)C2=CO

InChI

InChIKey=FHJXKTOXQHRDTL-PSWVRJCXSA-N

InChI=1S/C21H34O5/c1-7-11(2)16-19(5)15-12(3)8-18(4,24)9-13(15)21(26,20(16,6)25)14(10-22)17(19)23/h10-13,15-16,22,24-26H,7-9H2,1-6H3/b14-10+/t11-,12-,13+,15+,16-,18-,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	9 / 9
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:40:55 GMT 2025` Edited by `admin` on `Wed Apr 02 08:40:55 GMT 2025`
Record UNII	XPB9YZV345
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Betaenone A

Common Name

English

NSC-376690

Preferred Name

English

1,4-Ethanonaphthalen-9-one, decahydro-1,2,7-trihydroxy-10-(hydroxymethylene)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-, (1S,2S,3R,4R,4aS,5R,7R,8aS,10Z)-

Systematic Name

English

(1S,2S,3R,4R,4aS,5R,7R,8aS,10Z)-Decahydro-1,2,7-trihydroxy-10-(hydroxymethylene)-2,4,5,7-tetramethyl-3-[(1R)-1-methylpropyl]-1,4-ethanonaphthalen-9-one

Systematic Name

English

1,4-Ethanonaphthalen-2(1H)-one, octahydro-4,6,9-trihydroxy-3-(hydroxymethylene)-1,6,8,9-tetramethyl-10-(1-methylpropyl)-, [1R-[1?,3Z,4?,4a?,6?,8?,8a?,9S*,10R*(R*)]]-

Systematic Name

English

Code System Code Type Description

CAS

85269-22-3