1,3,16.ALPHA.-TRIHYDROXY-ESTRA-1,3,5(10)-TRIEN-17-ONE, 1,3-DIACETATE

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

Structure Search

SMILES

CC(=O)OC1=CC(OC(C)=O)=C2[C@H]3CC[C@@]4(C)[C@@H](C[C@@H](O)C4=O)[C@@H]3CCC2=C1

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 `Mon Mar 31 22:50:50 GMT 2025` Edited by `admin` on `Mon Mar 31 22:50:50 GMT 2025`
Record UNII	6N429U3I0N
Record Status	`Validated (UNII)`
Record Version

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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

Preferred Name

English

Code System Code Type Description

PUBCHEM

23618251

Created by admin on Mon Mar 31 22:50:50 GMT 2025 , Edited by admin on Mon Mar 31 22:50:50 GMT 2025

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EPA CompTox

DTXSID70962429

Created by admin on Mon Mar 31 22:50:50 GMT 2025 , Edited by admin on Mon Mar 31 22:50:50 GMT 2025

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CAS

4233-93-6

Created by admin on Mon Mar 31 22:50:50 GMT 2025 , Edited by admin on Mon Mar 31 22:50:50 GMT 2025

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FDA UNII

6N429U3I0N

Created by admin on Mon Mar 31 22:50:50 GMT 2025 , Edited by admin on Mon Mar 31 22:50:50 GMT 2025

PRIMARY