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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H36O2
Molecular Weight 320.5093
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PREGNANEDIOL V

SMILES

[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)[C@@H](C)O

InChI

InChIKey=YWYQTGBBEZQBGO-OQOYYRQQSA-N
InChI=1S/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15-,16+,17-,18+,19+,20+,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H36O2
Molecular Weight 320.5093
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:14:48 GMT 2023
Edited
by admin
on Sat Dec 16 09:14:48 GMT 2023
Record UNII
69Z9A22236
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PREGNANEDIOL V
Common Name English
PREGNANDIOL V
Common Name English
PREGNANE-3,20-DIOL, (3.ALPHA.,5.BETA.,20R)-
Systematic Name English
3.ALPHA.,20.BETA.-DIHYDROXY-5.BETA.-PREGNANE
Common Name English
5.BETA.-PREGNANE-3.ALPHA.,20.BETA.-DIOL
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
201-312-1
Created by admin on Sat Dec 16 09:14:48 GMT 2023 , Edited by admin on Sat Dec 16 09:14:48 GMT 2023
PRIMARY
FDA UNII
69Z9A22236
Created by admin on Sat Dec 16 09:14:48 GMT 2023 , Edited by admin on Sat Dec 16 09:14:48 GMT 2023
PRIMARY
PUBCHEM
101541
Created by admin on Sat Dec 16 09:14:48 GMT 2023 , Edited by admin on Sat Dec 16 09:14:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID501020842
Created by admin on Sat Dec 16 09:14:48 GMT 2023 , Edited by admin on Sat Dec 16 09:14:48 GMT 2023
PRIMARY
CAS
80-91-1
Created by admin on Sat Dec 16 09:14:48 GMT 2023 , Edited by admin on Sat Dec 16 09:14:48 GMT 2023
PRIMARY