ESTRADIOL 3-TETRAHYDROPYRANYL ETHER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H32O3
Molecular Weight	356.4984
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ESTRADIOL 3-TETRAHYDROPYRANYL ETHER

Structure Search

SMILES

[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]3([H])C4=C(CC[C@@]23[H])C=C(OC5CCCCO5)C=C4

InChI

InChIKey=BOLMNLJKDBCJIB-CUFSGNDSSA-N

InChI=1S/C23H32O3/c1-23-12-11-18-17-8-6-16(26-22-4-2-3-13-25-22)14-15(17)5-7-19(18)20(23)9-10-21(23)24/h6,8,14,18-22,24H,2-5,7,9-13H2,1H3/t18-,19-,20+,21+,22?,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H32O3
Molecular Weight	356.4984
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 17:29:19 UTC 2023` Edited by `admin` on `Sat Dec 16 17:29:19 UTC 2023`
Record UNII	2UC9XAN8CV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ESTRADIOL 3-TETRAHYDROPYRANYL ETHER

Common Name

English

(17.BETA.)-3-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)ESTRA-1,3,5(10)-TRIEN-17-OL

Systematic Name

English

NSC-86473

Code

English

ESTRA-1,3,5(10)-TRIEN-17.BETA.-OL, 3-((TETRAHYDROPYRAN-2-YL)OXY)-

Systematic Name

English

ESTRA-1,3,5(10)-TRIEN-17-OL, 3-((TETRAHYDRO-2H-PYRAN-2-YL)OXY)-, (17.BETA.)-

Systematic Name

English

Code System Code Type Description

NSC

86473