17-BUTADIYNYL-3-METHOXY-ESTRA-1,3,5(10)-TRIEN-17.BETA.-OL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H26O2
Molecular Weight	334.4513
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 17-BUTADIYNYL-3-METHOXY-ESTRA-1,3,5(10)-TRIEN-17.BETA.-OL

Structure Search

SMILES

COC1=CC2=C(C=C1)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#CC#C)[C@@H]3CC2

InChI

InChIKey=KCPKOXKPGXIJGK-VROINQGHSA-N

InChI=1S/C23H26O2/c1-4-5-12-23(24)14-11-21-20-8-6-16-15-17(25-3)7-9-18(16)19(20)10-13-22(21,23)2/h1,7,9,15,19-21,24H,6,8,10-11,13-14H2,2-3H3/t19-,20-,21+,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H26O2
Molecular Weight	334.4513
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 22:41:43 GMT 2025` Edited by `admin` on `Mon Mar 31 22:41:43 GMT 2025`
Record UNII	4929322J9N
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

17-BUTADIYNYL-3-METHOXY-ESTRA-1,3,5(10)-TRIEN-17.BETA.-OL

Common Name

English

ESTRA-1,3,5(10)-TRIEN-17-BETA-OL, 17-ALPHA-BUTADIYNYL-3-METHOXY-

Preferred Name

English

ESTRA-1,3,5(10)-TRIEN-17.BETA.-OL, 17-BUTADIYNYL-3-METHOXY-

Systematic Name

English

Code System Code Type Description

FDA UNII

4929322J9N

Created by admin on Mon Mar 31 22:41:43 GMT 2025 , Edited by admin on Mon Mar 31 22:41:43 GMT 2025

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EPA CompTox

DTXSID90173611

Created by admin on Mon Mar 31 22:41:43 GMT 2025 , Edited by admin on Mon Mar 31 22:41:43 GMT 2025

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CAS

1986-48-7

Created by admin on Mon Mar 31 22:41:43 GMT 2025 , Edited by admin on Mon Mar 31 22:41:43 GMT 2025

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PUBCHEM

16140

Created by admin on Mon Mar 31 22:41:43 GMT 2025 , Edited by admin on Mon Mar 31 22:41:43 GMT 2025

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