EPOTHILONE C

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H39NO5S
Molecular Weight	477.657
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H]1CCCC=CC[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@H]1O)C(\C)=C\C2=CSC(C)=N2

InChI

InChIKey=BEFZAMRWPCMWFJ-QJKGZULSSA-N

InChI=1S/C26H39NO5S/c1-16-11-9-7-8-10-12-21(17(2)13-20-15-33-19(4)27-20)32-23(29)14-22(28)26(5,6)25(31)18(3)24(16)30/h8,10,13,15-16,18,21-22,24,28,30H,7,9,11-12,14H2,1-6H3/b10-8-,17-13+/t16-,18+,21-,22-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H39NO5S
Molecular Weight	477.657
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:31:12 GMT 2023` Edited by `admin` on `Sat Dec 16 10:31:12 GMT 2023`
Record UNII	18T00XLN7E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EPOTHILONE C

Common Name

English

Epothilone C [WHO-DD]

Common Name

English

(-)-DEOXYEPOTHILONE A

Common Name

English

(-)-DESOXYEPOTHILONE A

Common Name

English

DESOXYEPOTHILONE A

Common Name

English

EPO C

Common Name

English

OXACYCLOHEXADEC-13-ENE-2,6-DIONE, 4,8-DIHYDROXY-5,5,7,9-TETRAMETHYL-16-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)-, (4S,7R,8S,9S,13Z,16S)-

Systematic Name

English

(4S,7R,8S,9S,13Z,16S)-4,8-DIHYDROXY-5,5,7,9-TETRAMETHYL-16-((1E)-1-METHYL-2-(2-METHYL-4-THIAZOLYL)ETHENYL)OXACYCLOHEXADEC-13-ENE-2,6-DIONE

Systematic Name

English

Code System Code Type Description

SMS_ID

100000177893