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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
Structure of KHELLACTONE, TRANS-(±)-

SMILES

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

InChI

InChIKey=HKXQUNNSKMWIKJ-WCQYABFASA-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+/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(±)-TRANS-KHELLACTONE
Preferred Name English
KHELLACTONE, TRANS-(±)-
Common Name English
REL-(9R,10S)-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.ALPHA.,10.BETA.-DIHYDROXY-8,8-DIMETHYL-
Systematic Name English
2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-2-ONE, 9,10-DIHYDRO-9,10-DIHYDROXY-8,8-DIMETHYL-, (9R,10S)-REL-
Systematic Name English
2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-2-ONE, 9,10-DIHYDRO-9,10-DIHYDROXY-8,8-DIMETHYL-, TRANS-
Systematic Name English
TRANS-(±)-KHELLACTONE
Common Name English
Code System Code Type Description
CAS
15575-68-5
Created by admin on Tue Apr 01 22:39:41 GMT 2025 , Edited by admin on Tue Apr 01 22:39:41 GMT 2025
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FDA UNII
17SSV9BI4T
Created by admin on Tue Apr 01 22:39:41 GMT 2025 , Edited by admin on Tue Apr 01 22:39:41 GMT 2025
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