Chem
J-GLOBAL ID:200907076595115805
Nikkaji number:J1.475.275G
Epothilone E
エポチロンE
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C26 H39 NO7 S
Molecular formula furigana:
C26-H39-N-O7-S
Molecular weight:
509.660
InChI:
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
InChI key:
FCCNKYGSMOSYPV-RFTMTISDSA-N
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)C1O)/C(=C/c1csc(CO)n1)/C
Systematic name (4):
(1S,3S,16R)-3β-[(E)-1-メチル-2-[2-(ヒドロキシメチル)-4-チアゾリル]エテニル]-7α,11β-ジヒドロキシ-8,8,10α,12β-テトラメチル-4,17-ジオキサビシクロ[14.1.0]ヘプタデカン-5,9-ジオン
(4S,7R,8S,9S,13R,14S,16S)-4,8-ジヒドロキシ-5,5,7,9-テトラメチル-16-[(E)-1-メチル-2-[2-(ヒドロキシメチル)-4-チアゾリル]エテニル]-13,14-エポキシ-1-オキサシクロヘキサデカン-2,6-ジオン
(1S,3S,7S,10R,11S,12S,16R)-7,11-ジヒドロキシ-3-[(1E)-1-[2-(ヒドロキシメチル)-1,3-チアゾール-4-イル]プロパ-1-エン-2-イル]-8,8,10,12-テトラメチル-4,17-ジオキサビシクロ[14.1.0]ヘプタデカン-5,9-ジオン
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-3-[(1E)-1-[2-(hydroxymethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
Other name (4):
(1S,3S,16R)-3β-[(E)-1-Methyl-2-[2-(hydroxymethyl)-4-thiazolyl]ethenyl]-7α,11β-dihydroxy-8,8,10α,12β-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
エポチロンE
Epothilone E
(4S,7R,8S,9S,13R,14S,16S)-4,8-Dihydroxy-5,5,7,9-tetramethyl-16-[(E)-1-methyl-2-[2-(hydroxymethyl)-4-thiazolyl]ethenyl]-13,14-epoxy-1-oxacyclohexadecane-2,6-dione
CAS registry number:
201049-37-8
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