EPOTHILONE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H39NO6S
Molecular Weight	493.656
Optical Activity	( - )
Defined Stereocenters	7 / 7
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)O[C@@H](C[C@]1([H])O2)C(\C)=C\C3=CSC(C)=N3

InChI

InChIKey=HESCAJZNRMSMJG-KKQRBIROSA-N

InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H39NO6S
Molecular Weight	493.656
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 `Sat Dec 16 10:09:19 UTC 2023` Edited by `admin` on `Sat Dec 16 10:09:19 UTC 2023`
Record UNII	51E07YBX96
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPOTHILONE A

Common Name

English

(-)-EPOTHILONE A

Common Name

English

EPO A

Common Name

English

EPOTHILONE A [MI]

Common Name

English

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

Systematic Name

English

Epothilone A [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1922