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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H30O3
Molecular Weight 318.4504
Optical Activity UNSPECIFIED
Defined Stereocenters 7 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TETRADECAHYDRO-2-HYDROXY-2,4B,6-TRIMETHYL-7-OXO-1-PHENANTHRENEPROPIONIC ACID .DELTA.-LACTONE

SMILES

[H][C@@]12CC[C@@]3([H])[C@]4([H])CCC(=O)O[C@@]4(C)CC[C@]3([H])[C@@]1(C)C[C@@H](C)C(=O)C2

InChI

InChIKey=HXVSTGSYDZPBSY-NPTBFVFBSA-N
InChI=1S/C20H30O3/c1-12-11-19(2)13(10-17(12)21)4-5-14-15(19)8-9-20(3)16(14)6-7-18(22)23-20/h12-16H,4-11H2,1-3H3/t12-,13+,14-,15+,16+,19+,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C20H30O3
Molecular Weight 318.4504
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 7 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:24:57 GMT 2023
Edited
by admin
on Sat Dec 16 08:24:57 GMT 2023
Record UNII
G6N27S12LY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
TETRADECAHYDRO-2-HYDROXY-2,4B,6-TRIMETHYL-7-OXO-1-PHENANTHRENEPROPIONIC ACID .DELTA.-LACTONE
Common Name English
13,17-SECO-5.ALPHA.-ANDROSTAN-17-OIC ACID, 13-HYDROXY-2.ALPHA.-METHYL-3-OXO-, .DELTA.-LACTONE
Systematic Name English
NSC-37322
Code English
1-PHENANTHRENEPROPIONICACID,TETRADECAHYDRO-2-HYDROXY-2,4B,9.ALPHA.-TRIMETHYL-7-OXO-,-LACTONE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID00988455
Created by admin on Sat Dec 16 08:24:57 GMT 2023 , Edited by admin on Sat Dec 16 08:24:57 GMT 2023
PRIMARY
PUBCHEM
235674
Created by admin on Sat Dec 16 08:24:57 GMT 2023 , Edited by admin on Sat Dec 16 08:24:57 GMT 2023
PRIMARY
FDA UNII
G6N27S12LY
Created by admin on Sat Dec 16 08:24:57 GMT 2023 , Edited by admin on Sat Dec 16 08:24:57 GMT 2023
PRIMARY
CAS
6875-26-9
Created by admin on Sat Dec 16 08:24:57 GMT 2023 , Edited by admin on Sat Dec 16 08:24:57 GMT 2023
PRIMARY
NSC
37322
Created by admin on Sat Dec 16 08:24:57 GMT 2023 , Edited by admin on Sat Dec 16 08:24:57 GMT 2023
PRIMARY