Chem
J-GLOBAL ID：200907080213533103   Nikkaji number：J1.926.184K

(4S,7R,8S,9S,10E,13S,14R,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-13,14-epoxy-1-oxacyclohexadeca-10-ene-2,6-dione

(4S,7R,8S,9S,10E,13S,14R,16S)-4,8-ジヒドロキシ-5,5,7,9,13-ペンタメチル-16-[(E)-1-メチル-2-(2-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-10-エン-2,6-ジオン
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： C27H39NO6S
Molecular formula furigana： C27-H39-N-O6-S
Molecular weight： 505.670
InChI： InChI=1S/C27H39NO6S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)33-23(30)13-21(29)26(5,6)25(32)17(3)24(15)31/h8-9,11,14-15,17,20-22,24,29,31H,10,12-13H2,1-7H3/b9-8+,16-11+/t15-,17+,20-,21-,22+,24?,27-/m0/s1
InChI key： BBCSWIKWDABZIM-ATLOXXNOSA-N
SMILES： C[C@H]1/C=C/C[C@]2(C)O[C@@H]2C[C@H](OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)C1O)/C(=C/c1csc(C)n1)/C
Systematic name  (3)：
  • (4S,7R,8S,9S,10E,13S,14R,16S)-4,8-ジヒドロキシ-5,5,7,9,13-ペンタメチル-16-[(E)-1-メチル-2-(2-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-10-エン-2,6-ジオン
  • (1R,3S,7S,10R,11S,12S,13E,16S)-7,11-ジヒドロキシ-8,8,10,12,16-ペンタメチル-3-[(1E)-1-(2-メチル-1,3-チアゾール-4-イル)プロパ-1-エン-2-イル]-4,17-ジオキサビシクロ[14.1.0]ヘプタデカ-13-エン-5,9-ジオン
  • (1R,3S,7S,10R,11S,12S,13E,16S)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadec-13-ene-5,9-dione
Other name (1)：
  • (4S,7R,8S,9S,10E,13S,14R,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-13,14-epoxy-1-oxacyclohexadeca-10-ene-2,6-dione
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