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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H14O5
Molecular Weight 286.2794
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PABULENOL

SMILES

CC(=C)[C@H](O)COC1=C2C=CC(=O)OC2=CC3=C1C=CO3

InChI

InChIKey=BVMOMQJYQYBMKL-GFCCVEGCSA-N
InChI=1S/C16H14O5/c1-9(2)12(17)8-20-16-10-3-4-15(18)21-14(10)7-13-11(16)5-6-19-13/h3-7,12,17H,1,8H2,2H3/t12-/m1/s1

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(((2S)-2-HYDROXY-3-METHYL-3-BUTENYL)OXY)-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE
Preferred Name English
PABULENOL
Common Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-(((2S)-2-HYDROXY-3-METHYL-3-BUTENYL)OXY)-
Systematic Name English
7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 4-((2-HYDROXY-3-METHYL-3-BUTENYL)OXY)-, (-)-
Systematic Name English
Code System Code Type Description
PUBCHEM
3009225
Created by admin on Mon Mar 31 23:07:21 GMT 2025 , Edited by admin on Mon Mar 31 23:07:21 GMT 2025
PRIMARY
EPA CompTox
DTXSID00955480
Created by admin on Mon Mar 31 23:07:21 GMT 2025 , Edited by admin on Mon Mar 31 23:07:21 GMT 2025
PRIMARY
FDA UNII
1P9F66D29E
Created by admin on Mon Mar 31 23:07:21 GMT 2025 , Edited by admin on Mon Mar 31 23:07:21 GMT 2025
PRIMARY
CAS
33889-70-2
Created by admin on Mon Mar 31 23:07:21 GMT 2025 , Edited by admin on Mon Mar 31 23:07:21 GMT 2025
PRIMARY
SUBSTANCE RECORD
Structure of PABULENOL
NIH
NCATS
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