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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H32O4
Molecular Weight 384.5085
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.-DIOL, DIPROPIONATE

SMILES

CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=C(C=CC(OC(=O)CC)=C4)[C@H]3CC[C@]2(C)C1

InChI

InChIKey=SPPGAQTVRFMVLJ-ISPHGWFKSA-N
InChI=1S/C24H32O4/c1-4-22(25)27-16-7-9-18-15(12-16)6-8-20-19(18)10-11-24(3)14-17(13-21(20)24)28-23(26)5-2/h7,9,12,17,19-21H,4-6,8,10-11,13-14H2,1-3H3/t17-,19-,20-,21+,24-/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H32O4
Molecular Weight 384.5085
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:00:21 GMT 2025
Edited
by admin
on Mon Mar 31 22:00:21 GMT 2025
Record UNII
9W77Z05VCU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-24550
Preferred Name English
ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.-DIOL, DIPROPIONATE
Systematic Name English
ESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.-DIOL,DIPROPIONATE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70282114
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY
NSC
24550
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY
PUBCHEM
230070
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY
CAS
5458-94-6
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY
FDA UNII
9W77Z05VCU
Created by admin on Mon Mar 31 22:00:21 GMT 2025 , Edited by admin on Mon Mar 31 22:00:21 GMT 2025
PRIMARY