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

Details

Stereochemistry RACEMIC
Molecular Formula C14H16
Molecular Weight 184.2768
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,3,4,4a,10a-Hexahydrophenanthrene

SMILES

C1CC[C@@H]2[C@@H](C1)C=CC3=CC=CC=C23

InChI

InChIKey=KLOAGCHCLPAICO-GXTWGEPZSA-N
InChI=1S/C14H16/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1,3,5,7,9-10,12,14H,2,4,6,8H2/t12-,14+/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H16
Molecular Weight 184.2768
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:29:53 GMT 2025
Edited
by admin
on Mon Mar 31 22:29:53 GMT 2025
Record UNII
ET3ZV4PX3X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,3,4,4a,10a-Hexahydrophenanthrene
Systematic Name English
Phenanthrene, 1,2,3,4,4a,10a-hexahydro-, trans-
Preferred Name English
Phenanthrene, 1,2,3,4,4a?,10a?-hexahydro-
Systematic Name English
1,2,3,4,4a?,10a?-hexahydrophenanthrene
Systematic Name English
Code System Code Type Description
CAS
62690-92-0
Created by admin on Mon Mar 31 22:29:53 GMT 2025 , Edited by admin on Mon Mar 31 22:29:53 GMT 2025
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
12493337
Created by admin on Mon Mar 31 22:29:53 GMT 2025 , Edited by admin on Mon Mar 31 22:29:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID30937431
Created by admin on Mon Mar 31 22:29:53 GMT 2025 , Edited by admin on Mon Mar 31 22:29:53 GMT 2025
PRIMARY
CAS
16804-85-6
Created by admin on Mon Mar 31 22:29:53 GMT 2025 , Edited by admin on Mon Mar 31 22:29:53 GMT 2025
PRIMARY
FDA UNII
ET3ZV4PX3X
Created by admin on Mon Mar 31 22:29:53 GMT 2025 , Edited by admin on Mon Mar 31 22:29:53 GMT 2025
PRIMARY