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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H20O3
Molecular Weight 248.3175
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-Hydroxyisovelleral

SMILES

C[C@]12C[C@@]1(C=O)C(C=O)=C[C@]3(O)CC(C)(C)C[C@@H]23

InChI

InChIKey=XJHRNHWYRIVNAL-MYPMTAMASA-N
InChI=1S/C15H20O3/c1-12(2)5-11-13(3)8-14(13,9-17)10(6-16)4-15(11,18)7-12/h4,6,9,11,18H,5,7-8H2,1-3H3/t11-,13+,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H20O3
Molecular Weight 248.3175
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:07:46 GMT 2025
Edited
by admin
on Mon Mar 31 22:07:46 GMT 2025
Record UNII
PE58DB2GN9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9?-Hydroxyisovelleral
Preferred Name English
9-Hydroxyisovelleral
Common Name English
(1aS,3aR,6aR,6bR)-3a,4,5,6,6a,6b-Hexahydro-3a-hydroxy-5,5,6b-trimethylcycloprop[e]indene-1a,2(1H)-dicarboxaldehyde
Systematic Name English
Cycloprop[e]indene-1a,2(1H)-dicarboxaldehyde, 3a,4,5,6,6a,6b-hexahydro-3a-hydroxy-5,5,6b-trimethyl-, [1aS-(1a?,3a?,6a?,6b?)]-
Systematic Name English
Code System Code Type Description
CAS
96910-71-3
Created by admin on Mon Mar 31 22:07:46 GMT 2025 , Edited by admin on Mon Mar 31 22:07:46 GMT 2025
PRIMARY
PUBCHEM
57145
Created by admin on Mon Mar 31 22:07:46 GMT 2025 , Edited by admin on Mon Mar 31 22:07:46 GMT 2025
PRIMARY
FDA UNII
PE58DB2GN9
Created by admin on Mon Mar 31 22:07:46 GMT 2025 , Edited by admin on Mon Mar 31 22:07:46 GMT 2025
PRIMARY
EPA CompTox
DTXSID40911409
Created by admin on Mon Mar 31 22:07:46 GMT 2025 , Edited by admin on Mon Mar 31 22:07:46 GMT 2025
PRIMARY