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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 5.BETA.-PREGNANE-3.ALPHA.,16.ALPHA.-DIOL-20-ONE

SMILES

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

InChI

InChIKey=FGDFFHLIMDMCJI-HEEAJRSSSA-N
InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/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 Fri Dec 15 15:03:12 GMT 2023
Edited
by admin
on Fri Dec 15 15:03:12 GMT 2023
Record UNII
O90LO1UQ2T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5.BETA.-PREGNANE-3.ALPHA.,16.ALPHA.-DIOL-20-ONE
Common Name English
3.ALPHA.,16.ALPHA.-DIHYDROXY-5.BETA.-PREGNAN-20-ONE
Systematic Name English
3.ALPHA.,16.ALPHA.-DIHYDROXY-5.BETA.-PREGNANE-20-ONE
Systematic Name English
PREGNAN-20-ONE, 3,16-DIHYDROXY-, (3.ALPHA.,5.BETA.,16.ALPHA.)-
Systematic Name English
5.BETA.-PREGNAN-20-ONE, 3.ALPHA.,16.ALPHA.-DIHYDROXY-
Systematic Name English
Code System Code Type Description
PUBCHEM
71620660
Created by admin on Fri Dec 15 15:03:12 GMT 2023 , Edited by admin on Fri Dec 15 15:03:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID90197413
Created by admin on Fri Dec 15 15:03:12 GMT 2023 , Edited by admin on Fri Dec 15 15:03:12 GMT 2023
PRIMARY
FDA UNII
O90LO1UQ2T
Created by admin on Fri Dec 15 15:03:12 GMT 2023 , Edited by admin on Fri Dec 15 15:03:12 GMT 2023
PRIMARY
CAS
481-10-7
Created by admin on Fri Dec 15 15:03:12 GMT 2023 , Edited by admin on Fri Dec 15 15:03:12 GMT 2023
PRIMARY