Chem
J-GLOBAL ID:200907051649930469   Nikkaji number:J1.658.794J

(S)-2-(4-Hydroxybenzyl)-2-[27,28,29,30-tetrahydroxy-5,13,19,25-tetra-tert-butyl-9-aza-2,16,22-trithiapentacyclo[21.3.1.13,7.111,15.117,21]triacontane-1(27),3,5,7(30),11,13,15(29),17,19,21(28),23,25-dodecene-9-yl]propanoic acid methyl ester

(S)-2-(4-ヒドロキシベンジル)-2-[27,28,29,30-テトラヒドロキシ-5,13,19,25-テトラ-tert-ブチル-9-アザ-2,16,22-トリチアペンタシクロ[21.3.1.13,7.111,15.117,21]トリアコンタン-1(27),3,5,7(30),11,13,15(29),17,19,21(28),23,25-ドデカエン-9-イル]プロパン酸メチル
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: C53H65NO7S3
Molecular formula furigana: C53-H65-N-O7-S3
Molecular weight: 924.280
InChI: InChI=1S/C53H65NO7S3/c1-49(2,3)33-19-31-28-54(53(13,48(60)61-14)27-30-15-17-37(55)18-16-30)29-32-20-34(50(4,5)6)22-39(45(32)57)63-41-24-36(52(10,11)12)26-43(47(41)59)64-42-25-35(51(7,8)9)23-40(46(42)58)62-38(21-33)44(31)56/h15-26,55-59H,27-29H2,1-14H3/t53-/m0/s1
InChI key: YMFGZWFVCQFMJK-DTSDQNDWSA-N
SMILES: COC(=O)[C@](C)(Cc1ccc(O)cc1)N1Cc2cc(cc(Sc3cc(cc(Sc4cc(cc(Sc5cc(cc(C1)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C)c2O)C(C)(C)C
Systematic name  (3):
  • (S)-2-(4-ヒドロキシベンジル)-2-[27,28,29,30-テトラヒドロキシ-5,13,19,25-テトラ-tert-ブチル-9-アザ-2,16,22-トリチアペンタシクロ[21.3.1.13,7.111,15.117,21]トリアコンタン-1(27),3,5,7(30),11,13,15(29),17,19,21(28),23,25-ドデカエン-9-イル]プロパン酸メチル
  • メチル (2S)-3-(4-ヒドロキシフェニル)-2-メチル-2-{5,11,17,25-テトラ-tert-ブチル-27,28,29,30-テトラヒドロキシ-2,8,14-トリチア-21-アザペンタシクロ[21.3.1.13,7.19,13.115,19]トリアコンタ-1(27),3,5,7(30),9,11,13(29),15,17,19(28),23,25-ドデカエン-21-イル}プロパノアート
  • methyl (2S)-3-(4-hydroxyphenyl)-2-methyl-2-{5,11,17,25-tetra-tert-butyl-27,28,29,30-tetrahydroxy-2,8,14-trithia-21-azapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3,5,7(30),9,11,13(29),15,17,19(28),23,25-dodecaen-21-yl}propanoate
Other name (1):
  • (S)-2-(4-Hydroxybenzyl)-2-[27,28,29,30-tetrahydroxy-5,13,19,25-tetra-tert-butyl-9-aza-2,16,22-trithiapentacyclo[21.3.1.13,7.111,15.117,21]triacontane-1(27),3,5,7(30),11,13,15(29),17,19,21(28),23,25-dodecene-9-yl]propanoic acid methyl ester
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