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

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.BETA.-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-OQRGXACUSA-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+/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.-TRIOL 3,20-DIACETATE
MI  
Common Name English
PREGNANE-3,17,20-TRIOL, 3,20-DIACETATE, (3.BETA.,5.ALPHA.,20R)-
Systematic Name English
5.ALPHA.-PREGNANE-3.BETA.,17,20.BETA.-TRIOL, 3,20-DIACETATE
Systematic Name English
ALLOPREGNANE-3.BETA.,17.ALPHA.,20.BETA.-TRIOL 3,20-DIACETATE [MI]
Common Name English
Code System Code Type Description
FDA UNII
12809DE60H
Created by admin on Sat Dec 16 09:11:36 GMT 2023 , Edited by admin on Sat Dec 16 09:11:36 GMT 2023
PRIMARY
PUBCHEM
14483499
Created by admin on Sat Dec 16 09:11:36 GMT 2023 , Edited by admin on Sat Dec 16 09:11:36 GMT 2023
PRIMARY
CAS
6170-18-9
Created by admin on Sat Dec 16 09:11:36 GMT 2023 , Edited by admin on Sat Dec 16 09:11:36 GMT 2023
PRIMARY
MERCK INDEX
m16
Created by admin on Sat Dec 16 09:11:36 GMT 2023 , Edited by admin on Sat Dec 16 09:11:36 GMT 2023
PRIMARY Merck Index