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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H26O6
Molecular Weight 386.4382
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3,16.ALPHA.-TRIHYDROXY-ESTRA-1,3,5(10)-TRIEN-17-ONE, 1,3-DIACETATE

SMILES

[H][C@@]12C[C@@H](O)C(=O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC(C)=O)C=C4OC(C)=O

InChI

InChIKey=JDYCHIRJQXOUAO-RSVWRCHESA-N
InChI=1S/C22H26O6/c1-11(23)27-14-8-13-4-5-15-16(20(13)19(9-14)28-12(2)24)6-7-22(3)17(15)10-18(25)21(22)26/h8-9,15-18,25H,4-7,10H2,1-3H3/t15-,16+,17+,18-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H26O6
Molecular Weight 386.4382
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 Sat Dec 16 09:48:22 GMT 2023
Edited
by admin
on Sat Dec 16 09:48:22 GMT 2023
Record UNII
6N429U3I0N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3,16.ALPHA.-TRIHYDROXY-ESTRA-1,3,5(10)-TRIEN-17-ONE, 1,3-DIACETATE
Common Name English
ESTRA-1,3,5(10)-TRIEN-17-ONE, 1,3,16-ALPHA-TRIHYDROXY-, 1,3-DIACETATE
Common Name English
Code System Code Type Description
PUBCHEM
23618251
Created by admin on Sat Dec 16 09:48:22 GMT 2023 , Edited by admin on Sat Dec 16 09:48:22 GMT 2023
PRIMARY
EPA CompTox
DTXSID70962429
Created by admin on Sat Dec 16 09:48:22 GMT 2023 , Edited by admin on Sat Dec 16 09:48:22 GMT 2023
PRIMARY
CAS
4233-93-6
Created by admin on Sat Dec 16 09:48:22 GMT 2023 , Edited by admin on Sat Dec 16 09:48:22 GMT 2023
PRIMARY
FDA UNII
6N429U3I0N
Created by admin on Sat Dec 16 09:48:22 GMT 2023 , Edited by admin on Sat Dec 16 09:48:22 GMT 2023
PRIMARY