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

Details

Stereochemistry RACEMIC
Molecular Formula C10H18O2
Molecular Weight 170.2487
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol

SMILES

CC1(C)[C@H]2C[C@@H](O)[C@@](C)(O)C[C@@H]12

InChI

InChIKey=AHVKNBRJVKCGKJ-WHQQTDPMSA-N
InChI=1S/C10H18O2/c1-9(2)6-4-8(11)10(3,12)5-7(6)9/h6-8,11-12H,4-5H2,1-3H3/t6-,7+,8+,10-/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H18O2
Molecular Weight 170.2487
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 Wed Apr 02 19:53:02 GMT 2025
Edited
by admin
on Wed Apr 02 19:53:02 GMT 2025
Record UNII
CA37DE99TY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
Systematic Name English
rel-(1R,3S,4S,6S)-3,7,7-Trimethylbicyclo[4.1.0]heptane-3,4-diol
Preferred Name English
Bicyclo[4.1.0]heptane-3,4-diol,3,7,7-trimethyl-,(1?,3?,4?,6?)-
Systematic Name English
Code System Code Type Description
FDA UNII
CA37DE99TY
Created by admin on Wed Apr 02 19:53:02 GMT 2025 , Edited by admin on Wed Apr 02 19:53:02 GMT 2025
PRIMARY
PUBCHEM
101526701
Created by admin on Wed Apr 02 19:53:02 GMT 2025 , Edited by admin on Wed Apr 02 19:53:02 GMT 2025
PRIMARY
EPA CompTox
DTXSID401172244
Created by admin on Wed Apr 02 19:53:02 GMT 2025 , Edited by admin on Wed Apr 02 19:53:02 GMT 2025
PRIMARY
CAS
19898-60-3
Created by admin on Wed Apr 02 19:53:02 GMT 2025 , Edited by admin on Wed Apr 02 19:53:02 GMT 2025
PRIMARY