U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H24O3
Molecular Weight 252.3493
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ILLUDOL

SMILES

[H][C@@]12CC(C)(C)C[C@]1([H])[C@@]3(C)[C@H](O)CC3=C(CO)[C@@H]2O

InChI

InChIKey=UJMSEIFAJPZTAL-MPAKNLCJSA-N
InChI=1S/C15H24O3/c1-14(2)5-8-11(6-14)15(3)10(4-12(15)17)9(7-16)13(8)18/h8,11-13,16-18H,4-7H2,1-3H3/t8-,11+,12-,13-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H24O3
Molecular Weight 252.3493
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:19:10 GMT 2023
Edited
by admin
on Sat Dec 16 11:19:10 GMT 2023
Record UNII
G0RQ2R967C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ILLUDOL
Common Name English
1H-CYCLOBUT(E)INDENE-1,4-DIOL, 2,4,4A,5,6,7,7A,7B-OCTAHYDRO-3-(HYDROXYMETHYL)-6,6,7B-TRIMETHYL-, (1R,4R,4AR,7AS,7BR)-
Systematic Name English
1H-CYCLOBUT(E)INDENE-1,4-DIOL, 2,4,4A,5,6,7,7A,7B-OCTAHYDRO-3-(HYDROXYMETHYL)-6,6,7B-TRIMETHYL-, (1R-(1.ALPHA.,4.ALPHA.,4A.BETA.,7A.BETA.,7B.ALPHA.))-
Systematic Name English
(1R,4R,4AR,7AS,7BR)-2,4,4A,5,6,7,7A,7B-OCTAHYDRO-3-(HYDROXYMETHYL)-6,6,7B-TRIMETHYL-1H-CYCLOBUT(E)INDENE-1,4-DIOL
Systematic Name English
Code System Code Type Description
PUBCHEM
71770218
Created by admin on Sat Dec 16 11:19:10 GMT 2023 , Edited by admin on Sat Dec 16 11:19:10 GMT 2023
PRIMARY
CAS
16981-75-2
Created by admin on Sat Dec 16 11:19:10 GMT 2023 , Edited by admin on Sat Dec 16 11:19:10 GMT 2023
PRIMARY
FDA UNII
G0RQ2R967C
Created by admin on Sat Dec 16 11:19:10 GMT 2023 , Edited by admin on Sat Dec 16 11:19:10 GMT 2023
PRIMARY