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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 APOTRICHODIOL

SMILES

[H][C@@]12O[C@]3(CO)C[C@H](O)C[C@]3(C)[C@@]1(C)CCC(C)=C2

InChI

InChIKey=LRGJZQCUGTZKGE-FQKPHLNHSA-N
InChI=1S/C15H24O3/c1-10-4-5-13(2)12(6-10)18-15(9-16)8-11(17)7-14(13,15)3/h6,11-12,16-17H,4-5,7-9H2,1-3H3/t11-,12+,13+,14-,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 Fri Dec 15 18:37:03 GMT 2023
Edited
by admin
on Fri Dec 15 18:37:03 GMT 2023
Record UNII
UD5DR5D558
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
APOTRICHODIOL
Common Name English
3aH-Cyclopenta[b]benzofuran-3a-methanol, 1,2,3,4a,7,8,8a,8b-octahydro-2-hydroxy-6,8a,8b-trimethyl-, (2R,3aR,4aS,8aR,8bR)-
Systematic Name English
Code System Code Type Description
PUBCHEM
147061
Created by admin on Fri Dec 15 18:37:03 GMT 2023 , Edited by admin on Fri Dec 15 18:37:03 GMT 2023
PRIMARY
CAS
104148-45-0
Created by admin on Fri Dec 15 18:37:03 GMT 2023 , Edited by admin on Fri Dec 15 18:37:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID50908825
Created by admin on Fri Dec 15 18:37:03 GMT 2023 , Edited by admin on Fri Dec 15 18:37:03 GMT 2023
PRIMARY
FDA UNII
UD5DR5D558
Created by admin on Fri Dec 15 18:37:03 GMT 2023 , Edited by admin on Fri Dec 15 18:37:03 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY