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Details

Stereochemistry ACHIRAL
Molecular Formula C17H16O2
Molecular Weight 252.3077
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRANS-4,15,16,17,-TETRAHYDRO-3H-CYCLOPENTA(A)PHENANTHRENE-3,4-DIOL

SMILES

O[C@H]1C=CC2=C(C=CC3=C2C=CC4=C3CCC4)[C@@H]1O

InChI

InChIKey=PCDSAGAZKIZLQI-IRXDYDNUSA-N
InChI=1S/C17H16O2/c18-16-9-8-14-13-5-4-10-2-1-3-11(10)12(13)6-7-15(14)17(16)19/h4-9,16-19H,1-3H2/t16-,17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H16O2
Molecular Weight 252.3077
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 Sat Dec 16 08:06:17 GMT 2023
Edited
by admin
on Sat Dec 16 08:06:17 GMT 2023
Record UNII
XX5ZD8Z32N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TRANS-4,15,16,17,-TETRAHYDRO-3H-CYCLOPENTA(A)PHENANTHRENE-3,4-DIOL
Systematic Name English
(3S,4S)-4,15,16,17-TETRAHYDRO-3H-CYCLOPENTA(A)PHENANTHRENE-3,4-DIOL
Systematic Name English
3H-CYCLOPENTA(A)PHENANTHRENE-3,4-DIOL, 4,15,16,17-TETRAHYDRO-, TRANS-
Systematic Name English
CCRIS 8281
Common Name English
Code System Code Type Description
PUBCHEM
154588
Created by admin on Sat Dec 16 08:06:17 GMT 2023 , Edited by admin on Sat Dec 16 08:06:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID60163120
Created by admin on Sat Dec 16 08:06:17 GMT 2023 , Edited by admin on Sat Dec 16 08:06:17 GMT 2023
PRIMARY
FDA UNII
XX5ZD8Z32N
Created by admin on Sat Dec 16 08:06:17 GMT 2023 , Edited by admin on Sat Dec 16 08:06:17 GMT 2023
PRIMARY
CAS
145627-68-5
Created by admin on Sat Dec 16 08:06:17 GMT 2023 , Edited by admin on Sat Dec 16 08:06:17 GMT 2023
PRIMARY