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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 of KHELLACTONE, CIS-(-)-

SMILES

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

InChI

InChIKey=HKXQUNNSKMWIKJ-AAEUAGOBSA-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

Unknown
149124
Name Type Language
KHELLACTONE, CIS-(-)-
Common Name English
(-)-CIS-KHELLACTONE
Preferred Name English
2H,8H-BENZO(1,2-B:3,4-B')DIPYRAN-2-ONE, 9,10-DIHYDRO-9,10-DIHYDROXY-8,8-DIMETHYL-, (9S-CIS)-
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,10S)-
Systematic Name English
(9S,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
Code System Code Type Description
FDA UNII
T84P34R1TM
Created by admin on Tue Apr 01 22:17:02 GMT 2025 , Edited by admin on Tue Apr 01 22:17:02 GMT 2025
PRIMARY
CAS
54712-23-1
Created by admin on Tue Apr 01 22:17:02 GMT 2025 , Edited by admin on Tue Apr 01 22:17:02 GMT 2025
PRIMARY
PUBCHEM
11097348
Created by admin on Tue Apr 01 22:17:02 GMT 2025 , Edited by admin on Tue Apr 01 22:17:02 GMT 2025
PRIMARY
NIH
NCATS
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