Chem
J-GLOBAL ID:201807018653345220
Nikkaji number:J3.707.405E
5,11,17,23-Tetra-tert-butyl-26,28-bis(phenylsulfonyl)pentacyclo[19.3.1.13,7 .19,13 .115,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol
26,28-ビス(ベンゼンスルホニル)-5,11,17,23-テトラ-tert-ブチルペンタシクロ[19.3.1.13,7 .19,13 .115,19 ]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,27-ジオール
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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:
C56 H64 O6 S2
Molecular formula furigana:
C56-H64-O6-S2
Molecular weight:
897.240
InChI:
InChI=1S/C56H64O6S2/c1-53(2,3)43-27-35-23-39-31-45(55(7,8)9)33-41(51(39)63(59,60)47-19-15-13-16-20-47)25-37-29-44(54(4,5)6)30-38(50(37)58)26-42-34-46(56(10,11)12)32-40(24-36(28-43)49(35)57)52(42)64(61,62)48-21-17-14-18-22-48/h13-22,27-34,57-58H,23-26H2,1-12H3
InChI key:
RNEGMIHYPXWVGY-UHFFFAOYSA-N
SMILES:
CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2O)c5S(=O)(=O)c1ccccc1)C(C)(C)C)c4O)C(C)(C)C)c3S(=O)(=O)c1ccccc1)C(C)(C)C
Systematic name (3):
5,11,17,23-テトラ-tert-ブチル-26,28-ビス(フェニルスルホニル)ペンタシクロ[19.3.1.13,7 .19,13 .115,19 ]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,27-ジオール
26,28-ビス(ベンゼンスルホニル)-5,11,17,23-テトラ-tert-ブチルペンタシクロ[19.3.1.13,7 .19,13 .115,19 ]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25,27-ジオール
26,28-bis(benzenesulfonyl)-5,11,17,23-tetra-tert-butylpentacyclo[19.3.1.13,7 .19,13 .115,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol
Other name (1):
5,11,17,23-Tetra-tert-butyl-26,28-bis(phenylsulfonyl)pentacyclo[19.3.1.13,7 .19,13 .115,19 ]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25,27-diol
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