KHELLACTONE, TRANS-(+)-

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H14O5
Molecular Weight	262.258
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)OC2=CC=C3C=CC(=O)OC3=C2[C@@H](O)[C@@H]1O

InChI

InChIKey=HKXQUNNSKMWIKJ-YPMHNXCESA-N

InChI=1S/C14H14O5/c1-14(2)13(17)11(16)10-8(19-14)5-3-7-4-6-9(15)18-12(7)10/h3-6,11,13,16-17H,1-2H3/t11-,13+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H14O5
Molecular Weight	262.258
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 00:55:37 GMT 2025` Edited by `admin` on `Wed Apr 02 00:55:37 GMT 2025`
Record UNII	T15EPI22YM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KHELLACTONE, TRANS-(+)-

Common Name

English

(+)-TRANS-KHELLACTONE

Preferred Name

English

(9S,10R)-9,10-DIHYDRO-9,10-DIHYDROXY-8,8-DIMETHYL-2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-2-ONE

Systematic Name

English

2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-2-ONE, 9,10-DIHYDRO-9,10-DIHYDROXY-8,8-DIMETHYL-, (9S-TRANS)-

Systematic Name

English

2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-2-ONE, 9,10-DIHYDRO-9,10-DIHYDROXY-8,8-DIMETHYL-, (9S,10R)-

Systematic Name

English

TRANS-(+)-KHELLACTONE

Common Name

English

Code System Code Type Description

CAS

20516-17-0

Created by admin on Wed Apr 02 00:55:37 GMT 2025 , Edited by admin on Wed Apr 02 00:55:37 GMT 2025

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PUBCHEM

11436940

Created by admin on Wed Apr 02 00:55:37 GMT 2025 , Edited by admin on Wed Apr 02 00:55:37 GMT 2025

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FDA UNII

T15EPI22YM

Created by admin on Wed Apr 02 00:55:37 GMT 2025 , Edited by admin on Wed Apr 02 00:55:37 GMT 2025

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