OROBANCHYL ACETATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24O7
Molecular Weight	388.4111
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)O[C@@H]1[C@@H]2[C@@H](OC(=O)\C2=C\O[C@@H]3OC(=O)C(C)=C3)C4=C1CCCC4(C)C

InChI

InChIKey=DLRIUVHQJRZTMZ-PLPBJLQDSA-N

InChI=1S/C21H24O7/c1-10-8-14(27-19(10)23)25-9-13-15-17(26-11(2)22)12-6-5-7-21(3,4)16(12)18(15)28-20(13)24/h8-9,14-15,17-18H,5-7H2,1-4H3/b13-9+/t14-,15-,17+,18-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H24O7
Molecular Weight	388.4111
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 08:02:16 GMT 2025` Edited by `admin` on `Wed Apr 02 08:02:16 GMT 2025`
Record UNII	KDR5EQ1GKY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

OROBANCHYL ACETATE

Common Name

English

(+)-OROBANCHYL ACETATE

Preferred Name

English

ALECTROL

Common Name

English

OROBANCHYL ACETATE [MI]

Common Name

English

2H-INDENO(1,2-B)FURAN-2-ONE, 4-(ACETYLOXY)-3-((((2R)-2,5-DIHYDRO-4-METHYL-5-OXO-2-FURANYL)OXY)METHYLENE)-3,3A,4,5,6,7,8,8B-OCTAHYDRO-8,8-DIMETHYL-, (3E,3AR,4R,8BR)-

Systematic Name

English

(3E,3AR,4R,8BR)-4-(ACETYLOXY)-3-((((2R)-2,5-DIHYDRO-4-METHYL-5-OXO-2-FURANYL)OXY)METHYLENE)-3,3A,4,5,6,7,8,8B-OCTAHYDRO-8,8-DIMETHYL-2H-INDENO(1,2-B)FURAN-2-ONE

Systematic Name

English

Code System Code Type Description

CAS

1413843-71-6