KHELLACTONE, CIS-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C14H14O5
Molecular Weight	262.258
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

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

InChI

InChIKey=HKXQUNNSKMWIKJ-DGCLKSJQSA-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	MOL RATIO 1 MOL RATIO (average)

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

Approval Year

Substance Class	Chemical
Record UNII	GAS8L324N7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KHELLACTONE, CIS-(±)-

Common Name

English

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

Systematic Name

English

CIS-KHELLACTONE

Common Name

English

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

Systematic Name

English

REL-(9R,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

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Code System

Code

Type

Description

CAS

15645-11-1

PRIMARY

FDA UNII

GAS8L324N7

PRIMARY

PUBCHEM

455821

PRIMARY

Showing 1 to 3 of 3 entries

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