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

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H34O3
Molecular Weight 334.4929
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6.ALPHA.-HYDROXYPREGNANOLONE

SMILES

[H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]3([H])[C@@]2([H])C[C@H](O)[C@]4([H])C[C@H](O)CC[C@]34C

InChI

InChIKey=HHUZGDMRRLQZIQ-PXWUZWBYSA-N
InChI=1S/C21H34O3/c1-12(22)15-4-5-16-14-11-19(24)18-10-13(23)6-8-21(18,3)17(14)7-9-20(15,16)2/h13-19,23-24H,4-11H2,1-3H3/t13-,14+,15-,16+,17+,18+,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H34O3
Molecular Weight 334.4929
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 09:03:41 GMT 2023
Edited
by admin
on Sat Dec 16 09:03:41 GMT 2023
Record UNII
617IS2U65V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6.ALPHA.-HYDROXYPREGNANOLONE
Common Name English
5.BETA.-PREGNANE-3.ALPHA.,6.ALPHA.-DIOL-20-ONE
Systematic Name English
5.BETA.-PREGNAN-20-ONE,3.ALPHA.,6.ALPHA.-DIHYDROXY-
Common Name English
PREGNAN-20-ONE, 3,6-DIHYDROXY-, (3.ALPHA.,5.BETA.,6.ALPHA.)-
Systematic Name English
3.ALPHA.,6.ALPHA.-DIHYDROXY-5.BETA.-PREGNANE-20-ONE
Systematic Name English
NSC-50920
Code English
6.ALPHA.-HYDROXYELTANOLONE
Common Name English
DIOLONE
Brand Name English
Code System Code Type Description
CAS
570-78-5
Created by admin on Sat Dec 16 09:03:41 GMT 2023 , Edited by admin on Sat Dec 16 09:03:41 GMT 2023
PRIMARY
FDA UNII
617IS2U65V
Created by admin on Sat Dec 16 09:03:41 GMT 2023 , Edited by admin on Sat Dec 16 09:03:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID60972491
Created by admin on Sat Dec 16 09:03:41 GMT 2023 , Edited by admin on Sat Dec 16 09:03:41 GMT 2023
PRIMARY
PUBCHEM
101774
Created by admin on Sat Dec 16 09:03:41 GMT 2023 , Edited by admin on Sat Dec 16 09:03:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-333-8
Created by admin on Sat Dec 16 09:03:41 GMT 2023 , Edited by admin on Sat Dec 16 09:03:41 GMT 2023
PRIMARY
NSC
50920
Created by admin on Sat Dec 16 09:03:41 GMT 2023 , Edited by admin on Sat Dec 16 09:03:41 GMT 2023
PRIMARY