EPOTHILONE E

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H39NO7S
Molecular Weight	509.655
Optical Activity	( - )
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CCC[C@H]2O[C@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C3=CSC(CO)=N3

InChI

InChIKey=FCCNKYGSMOSYPV-OKOHHBBGSA-N

InChI=1S/C26H39NO7S/c1-14-7-6-8-18-20(33-18)10-19(15(2)9-17-13-35-22(12-28)27-17)34-23(30)11-21(29)26(4,5)25(32)16(3)24(14)31/h9,13-14,16,18-21,24,28-29,31H,6-8,10-12H2,1-5H3/b15-9+/t14-,16+,18+,19-,20-,21-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H39NO7S
Molecular Weight	509.655
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 10:25:48 GMT 2025` Edited by `admin` on `Wed Apr 02 10:25:48 GMT 2025`
Record UNII	UK5H6YZZ8A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPOTHILONE E

Common Name

English

(-)-EPOTHILONE E

Preferred Name

English

4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE, 7,11-DIHYDROXY-3-((1E)-2-(2-(HYDROXYMETHYL)-4-THIAZOLYL)-1-METHYLETHENYL)-8,8,10,12-TETRAMETHYL-, (1S,3S,7S,10R,11S,12S,16R)-

Systematic Name

English

(1S,3S,7S,10R,11S,12S,16R)-7,11-DIHYDROXY-3-((1E)-2-(2-(HYDROXYMETHYL)-4-THIAZOLYL)-1-METHYLETHENYL)-8,8,10,12-TETRAMETHYL-4,17-DIOXABICYCLO(14.1.0)HEPTADECANE-5,9-DIONE

Systematic Name

English

Code System Code Type Description

FDA UNII

UK5H6YZZ8A

Created by admin on Wed Apr 02 10:25:48 GMT 2025 , Edited by admin on Wed Apr 02 10:25:48 GMT 2025

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CAS

201049-37-8

Created by admin on Wed Apr 02 10:25:48 GMT 2025 , Edited by admin on Wed Apr 02 10:25:48 GMT 2025

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PUBCHEM

9806341

Created by admin on Wed Apr 02 10:25:48 GMT 2025 , Edited by admin on Wed Apr 02 10:25:48 GMT 2025

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Related Record Type Details


					UK5H6YZZ8A

EPOTHILONE E

ACTIVE MOIETY

Amount: