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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H38O7
Molecular Weight 450.565
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE-3.BETA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE 3,21-DIACETATE

SMILES

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

InChI

InChIKey=QGAODEALOJFHBD-ZBXMROQUSA-N
InChI=1S/C25H38O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-20,22,28,30H,5-13H2,1-4H3/t16-,17-,18-,19-,20-,22+,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H38O7
Molecular Weight 450.565
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 09:48:32 GMT 2023
Edited
by admin
on Sat Dec 16 09:48:32 GMT 2023
Record UNII
72292L8U8H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOPREGNANE-3.BETA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE 3,21-DIACETATE
MI  
Common Name English
(+)-ALLOPREGNANE-3.BETA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE 3,21-DIACETATE
Common Name English
5.ALPHA.-PREGNAN-20-ONE, 3.BETA.,11.BETA.,17,21-TETRAHYDROXY-, 3,21-DIACETATE
Systematic Name English
PREGNAN-20-ONE, 3,21-BIS(ACETYLOXY)-11,17-DIHYDROXY-, (3.BETA.,5.ALPHA.,11.BETA.)-
Systematic Name English
ALLOPREGNANE-3.BETA.,11.BETA.,17.ALPHA.,21-TETROL-20-ONE 3,21-DIACETATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
72292L8U8H
Created by admin on Sat Dec 16 09:48:32 GMT 2023 , Edited by admin on Sat Dec 16 09:48:32 GMT 2023
PRIMARY
PUBCHEM
90479605
Created by admin on Sat Dec 16 09:48:32 GMT 2023 , Edited by admin on Sat Dec 16 09:48:32 GMT 2023
PRIMARY
CAS
6471-84-7
Created by admin on Sat Dec 16 09:48:32 GMT 2023 , Edited by admin on Sat Dec 16 09:48:32 GMT 2023
PRIMARY
MERCK INDEX
m14
Created by admin on Sat Dec 16 09:48:32 GMT 2023 , Edited by admin on Sat Dec 16 09:48:32 GMT 2023
PRIMARY Merck Index