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Details

Stereochemistry ABSOLUTE
Molecular Formula C25H40O5
Molecular Weight 420.5821
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLOPREGNANE-3.BETA.,17.ALPHA.,20.ALPHA.-TRIOL 3,20-DIACETATE

SMILES

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

InChI

InChIKey=COXXOOWTEWCQRW-PEFWAVJTSA-N
InChI=1S/C25H40O5/c1-15(29-16(2)26)25(28)13-10-22-20-7-6-18-14-19(30-17(3)27)8-11-23(18,4)21(20)9-12-24(22,25)5/h15,18-22,28H,6-14H2,1-5H3/t15-,18-,19-,20+,21-,22-,23-,24-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula C25H40O5
Molecular Weight 420.5821
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 09:09:08 GMT 2023
Edited
by admin
on Sat Dec 16 09:09:08 GMT 2023
Record UNII
HU5FN3P28K
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLOPREGNANE-3.BETA.,17.ALPHA.,20.ALPHA.-TRIOL 3,20-DIACETATE
MI  
Common Name English
PREGNANE-3,17,20-TRIOL, 3,20-DIACETATE, (3.BETA.,5.ALPHA.,20S)-
Systematic Name English
5.ALPHA.-PREGNANE-3.BETA.,17,20.ALPHA.-TRIOL, 3,20-DIACETATE
Systematic Name English
ALLOPREGNANE-3.BETA.,17.ALPHA.,20.ALPHA.-TRIOL 3,20-DIACETATE [MI]
Common Name English
Code System Code Type Description
CAS
1176-49-4
Created by admin on Sat Dec 16 09:09:08 GMT 2023 , Edited by admin on Sat Dec 16 09:09:08 GMT 2023
PRIMARY
PUBCHEM
14483500
Created by admin on Sat Dec 16 09:09:08 GMT 2023 , Edited by admin on Sat Dec 16 09:09:08 GMT 2023
PRIMARY
FDA UNII
HU5FN3P28K
Created by admin on Sat Dec 16 09:09:08 GMT 2023 , Edited by admin on Sat Dec 16 09:09:08 GMT 2023
PRIMARY
MERCK INDEX
m15
Created by admin on Sat Dec 16 09:09:08 GMT 2023 , Edited by admin on Sat Dec 16 09:09:08 GMT 2023
PRIMARY Merck Index