Chem
J-GLOBAL ID：200907097159467035   Nikkaji number：J1.434.748H

4,2β-[(3α,5β-Dimethyl-4β-hydroxytetrahydro-2H-pyran-2β,6β-diyl)[(3S,7S,9S)-3,5,7,9-tetramethyl-4-nonene-1,9-diyl]]-2,5-dihydroxy-7-methyl-3-(2-pyridylthio)-benzofuran-6(2H)-one

4,2β-[(3α,5β-ジメチル-4β-ヒドロキシテトラヒドロ-2H-ピラン-2β,6β-ジイル)[(3S,7S,9S)-3,5,7,9-テトラメチル-4-ノネン-1,9-ジイル]]-2,5-ジヒドロキシ-7-メチル-3-(2-ピリジルチオ)-ベンゾフラン-6(2H)-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： C34H45NO6S
Molecular formula furigana： C34-H45-N-O6-S
Molecular weight： 595.800
InChI： InChI=1S/C34H45NO6S/c1-17-11-12-24-21(5)28(36)22(6)31(40-24)26-27-32(23(7)29(37)30(26)38)41-34(39,20(4)16-19(3)15-18(2)14-17)33(27)42-25-10-8-9-13-35-25/h8-10,13-14,17,19-22,24,28,31,36,38-39H,11-12,15-16H2,1-7H3/t17-,19+,20-,21-,22+,24+,28-,31+,34-/m0/s1
InChI key： QFVZEFVHTQIMLU-IQGVUOMYSA-N
SMILES： C[C@H]1[C@H]2CC[C@H](C)C=C(C)C[C@@H](C)C[C@H](C)[C@]3(O)OC4=C(C)C(=O)C(=C([C@H](O2)[C@H](C)[C@H]1O)C4=C3Sc1ccccn1)O
Systematic name  (3)：
  • 4,2β-[(3α,5β-ジメチル-4β-ヒドロキシテトラヒドロ-2H-ピラン-2β,6β-ジイル)[(3S,7S,9S)-3,5,7,9-テトラメチル-4-ノネン-1,9-ジイル]]-2,5-ジヒドロキシ-7-メチル-3-(2-ピリジルチオ)-ベンゾフラン-6(2H)-オン
  • (1R,9S,10S,12S,16S,19R,20R,21S,22R)-3,9,21-トリヒドロキシ-5,10,12,14,16,20,22-ヘプタメチル-8-(ピリジン-2-イルスルファニル)-23,24-ジオキサテトラシクロ[17.3.1.16,9.02,7]テトラコサ-2,5,7,14-テトラエン-4-オン
  • (1R,9S,10S,12S,16S,19R,20R,21S,22R)-3,9,21-trihydroxy-5,10,12,14,16,20,22-heptamethyl-8-(pyridin-2-ylsulfanyl)-23,24-dioxatetracyclo[17.3.1.16,9.02,7]tetracosa-2,5,7,14-tetraen-4-one
Other name (1)：
  • 4,2β-[(3α,5β-Dimethyl-4β-hydroxytetrahydro-2H-pyran-2β,6β-diyl)[(3S,7S,9S)-3,5,7,9-tetramethyl-4-nonene-1,9-diyl]]-2,5-dihydroxy-7-methyl-3-(2-pyridylthio)-benzofuran-6(2H)-one
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