ESTRADIOL 3,17-DIVALERATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H40O4
Molecular Weight	440.6148
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=XCWCTQWBFLVNMT-RIWVVKKCSA-N

InChI=1S/C28H40O4/c1-4-6-8-26(29)31-20-11-13-21-19(18-20)10-12-23-22(21)16-17-28(3)24(23)14-15-25(28)32-27(30)9-7-5-2/h11,13,18,22-25H,4-10,12,14-17H2,1-3H3/t22-,23-,24+,25+,28+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H40O4
Molecular Weight	440.6148
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 04:55:47 GMT 2023` Edited by `admin` on `Sat Dec 16 04:55:47 GMT 2023`
Record UNII	EQ443E73KN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRADIOL 3,17-DIVALERATE

Common Name

English

ESTRA-1,3,5(10)-TRIEN-3,17.BETA.-DIYL DIPENTANOATE

Systematic Name

English

ESTRADIOL VALERATE IMPURITY E [EP IMPURITY]

Common Name

English

ESTRA-1,3,5(10)-TRIENE-3,17-DIOL (17.BETA.)-, 3,17-DIPENTANOATE

Common Name

English

ESTRADIOL, DIVALERATE

Common Name

English

Code System Code Type Description

PUBCHEM

14653382

Created by admin on Sat Dec 16 04:55:47 GMT 2023 , Edited by admin on Sat Dec 16 04:55:47 GMT 2023

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EPA CompTox

DTXSID90212372

Created by admin on Sat Dec 16 04:55:47 GMT 2023 , Edited by admin on Sat Dec 16 04:55:47 GMT 2023

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FDA UNII

EQ443E73KN

Created by admin on Sat Dec 16 04:55:47 GMT 2023 , Edited by admin on Sat Dec 16 04:55:47 GMT 2023

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CAS

63042-28-4

Created by admin on Sat Dec 16 04:55:47 GMT 2023 , Edited by admin on Sat Dec 16 04:55:47 GMT 2023

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