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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H20O3
Molecular Weight 248.3175
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-HYDROXY-3-(HYDROXYMETHYL)-2,4,6-TRIMETHYL-1H-INDENE-5-ETHANOL

SMILES

CC1=C(CO)C2=C(C1)C(O)=C(C)C(CCO)=C2C

InChI

InChIKey=ONDIIKFGSWRMSU-UHFFFAOYSA-N
InChI=1S/C15H20O3/c1-8-6-12-14(13(8)7-17)9(2)11(4-5-16)10(3)15(12)18/h16-18H,4-7H2,1-3H3

HIDE SMILES / InChI

Approval Year

Name Type Language
7-HYDROXY-3-(HYDROXYMETHYL)-2,4,6-TRIMETHYL-1H-INDENE-5-ETHANOL
Systematic Name English
1H-INDENE-5-ETHANOL, 7-HYDROXY-3-(HYDROXYMETHYL)-2,4,6-TRIMETHYL-
Systematic Name English
IROFULVEN METABOLITE M2
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80616421
Created by admin on Sat Dec 16 16:54:37 GMT 2023 , Edited by admin on Sat Dec 16 16:54:37 GMT 2023
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CAS
247256-81-1
Created by admin on Sat Dec 16 16:54:37 GMT 2023 , Edited by admin on Sat Dec 16 16:54:37 GMT 2023
PRIMARY
PUBCHEM
21626046
Created by admin on Sat Dec 16 16:54:37 GMT 2023 , Edited by admin on Sat Dec 16 16:54:37 GMT 2023
PRIMARY
FDA UNII
2I8MU7S78M
Created by admin on Sat Dec 16 16:54:37 GMT 2023 , Edited by admin on Sat Dec 16 16:54:37 GMT 2023
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