Chem
J-GLOBAL ID:200907049177494592   Nikkaji number:J899.812D

4-[2-[(1S,3S,7S,10R,11S,12S,16R)-4,17-Dioxa-5,9-dioxo-7,11-dihydroxy-8,8,10,12-tetramethylbicyclo[14.1.0]heptadecan-3-yl]-1-propenyl]-2-methylthiazole 1-oxide

4-[2-[(1S,3S,7S,10R,11S,12S,16R)-4,17-ジオキサ-5,9-ジオキソ-7,11-ジヒドロキシ-8,8,10,12-テトラメチルビシクロ[14.1.0]ヘプタデカン-3-イル]-1-プロペニル]-2-メチルチアゾール1-オキシド
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: C26H39NO6[O-][S+]
Molecular formula furigana: C26-H39-N-O7-S
Molecular weight: 509.660
InChI: InChI=1S/C26H39NO7S/c1-14-8-7-9-19-21(33-19)11-20(15(2)10-18-13-35(32)17(4)27-18)34-23(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/t14-,16+,19+,20-,21-,22-,24?,35?/m0/s1
InChI key: IHFRLEUBBURGSV-VGFSDAARSA-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(=CC1=C[S+]([O-])C(=N1)C)C
Systematic name  (4):
  • 4-[2-[(1S,3S,7S,10R,11S,12S,16R)-4,17-ジオキサ-5,9-ジオキソ-7,11-ジヒドロキシ-8,8,10,12-テトラメチルビシクロ[14.1.0]ヘプタデカン-3-イル]-1-プロペニル]-2-メチルチアゾール1-オキシド
  • (1S,3S,7S,10R,11S,12S,16R)-7,11-ジヒドロキシ-8,8,10,12-テトラメチル-3-[1-メチル-2-[(2-メチルチアゾール1-オキシド)-4-イル]エテニル]-4,17-ジオキサビシクロ[14.1.0]ヘプタデカン-5,9-ジオン
  • 4-{2-[(1S,3S,7S,10R,11S,12S,16R)-7,11-ジヒドロキシ-8,8,10,12-テトラメチル-5,9-ジオキソ-4,17-ジオキサビシクロ[14.1.0]ヘプタデカン-3-イル]プロパ-1-エン-1-イル}-2-メチル-1H-1,3-チアゾール-1-イウム-1-オラート
  • 4-{2-[(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-5,9-dioxo-4,17-dioxabicyclo[14.1.0]heptadecan-3-yl]prop-1-en-1-yl}-2-methyl-1H-1,3-thiazol-1-ium-1-olate
Other name (2):
  • 4-[2-[(1S,3S,7S,10R,11S,12S,16R)-4,17-Dioxa-5,9-dioxo-7,11-dihydroxy-8,8,10,12-tetramethylbicyclo[14.1.0]heptadecan-3-yl]-1-propenyl]-2-methylthiazole 1-oxide
  • (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12-tetramethyl-3-[1-methyl-2-[(2-methylthiazole 1-oxide)-4-yl]ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
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