2,3,4-TRIMETHOXY-ESTRA-1,3,5(10),8-TETRAEN-17-OL, HYDROGEN SULFATE, (17.BETA.)-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C21H28O7S
Molecular Weight	424.508
Optical Activity	( + / - )
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2,3,4-TRIMETHOXY-ESTRA-1,3,5(10),8-TETRAEN-17-OL, HYDROGEN SULFATE, (17.BETA.)-(±)-

Structure Search

SMILES

COC1=C(OC)C(OC)=C2CCC3=C(CC[C@]4(C)[C@H](CC[C@@H]34)OS(O)(=O)=O)C2=C1

InChI

InChIKey=JMZGMDPXMHHCGP-MDKPJZGXSA-N

InChI=1S/C21H28O7S/c1-21-10-9-12-13(16(21)7-8-18(21)28-29(22,23)24)5-6-14-15(12)11-17(25-2)20(27-4)19(14)26-3/h11,16,18H,5-10H2,1-4H3,(H,22,23,24)/t16-,18-,21-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

ESTRA-1,3,5(10),8-TETRAEN-17-OL, 2,3,4-TRIMETHOXY-, HYDROGEN SULFATE, (17.BETA.)-(±)-

Preferred Name

English

2,3,4-TRIMETHOXY-ESTRA-1,3,5(10),8-TETRAEN-17-OL, HYDROGEN SULFATE, (17.BETA.)-(±)-

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20197224

Created by admin on Mon Mar 31 21:39:13 GMT 2025 , Edited by admin on Mon Mar 31 21:39:13 GMT 2025

PRIMARY

CAS

47620-70-2

Created by admin on Mon Mar 31 21:39:13 GMT 2025 , Edited by admin on Mon Mar 31 21:39:13 GMT 2025

PRIMARY

FDA UNII

NR80M0W0GK

Created by admin on Mon Mar 31 21:39:13 GMT 2025 , Edited by admin on Mon Mar 31 21:39:13 GMT 2025

PRIMARY

PUBCHEM

71587056

Created by admin on Mon Mar 31 21:39:13 GMT 2025 , Edited by admin on Mon Mar 31 21:39:13 GMT 2025

PRIMARY

SALT/SOLVATE (PARENT)


					F41JJH16FP

2,3,4-TRIMETHOXY-ESTRA-1,3,5(10),8-TETRAEN-17-OL, SULFATE, (17.BETA.)-(±)- N-METHYL-D-GLUCAMINE

SUBSTANCE RECORD


					NR80M0W0GK

2,3,4-TRIMETHOXY-ESTRA-1,3,5(10),8-TETRAEN-17-OL, HYDROGEN SULFATE, (17.BETA.)-(±)-