Chem
J-GLOBAL ID：200907033460289330   Nikkaji number：J1.995.854J

Bis(4,4-dimethylpentanoic acid)[25,26,27,28-tetrahydroxypentacyclo[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-dodecene-5,17-diyl]bisethylene ester

ビス(4,4-ジメチルペンタン酸)[25,26,27,28-テトラヒドロキシペンタシクロ[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-5,17-ジイル]ビスエチレン
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： C46H56O8
Molecular formula furigana： C46-H56-O8
Molecular weight： 736.946
InChI： InChI=1S/C46H56O8/c1-45(2,3)17-13-39(47)53-19-15-29-21-35-25-31-9-7-11-33(41(31)49)27-37-23-30(16-20-54-40(48)14-18-46(4,5)6)24-38(44(37)52)28-34-12-8-10-32(42(34)50)26-36(22-29)43(35)51/h7-12,21-24,49-52H,13-20,25-28H2,1-6H3
InChI key： RGOJQFZUOXVAMB-UHFFFAOYSA-N
SMILES： CC(C)(C)CCC(=O)OCCc1cc2Cc3cccc(Cc4cc(CCOC(=O)CCC(C)(C)C)cc(Cc5cccc(Cc(c1)c2O)c5O)c4O)c3O
Systematic name  (3)：
  • ビス(4,4-ジメチルペンタン酸)[25,26,27,28-テトラヒドロキシペンタシクロ[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-5,17-ジイル]ビスエチレン
  • 2-(17-{2-[(4,4-ジメチルペンタノイル)オキシ]エチル}-25,26,27,28-テトラヒドロキシペンタシクロ[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-5-イル)エチル 4,4-ジメチルペンタノアート
  • 2-(17-{2-[(4,4-dimethylpentanoyl)oxy]ethyl}-25,26,27,28-tetrahydroxypentacyclo[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-dodecaen-5-yl)ethyl 4,4-dimethylpentanoate
Other name (1)：
  • Bis(4,4-dimethylpentanoic acid)[25,26,27,28-tetrahydroxypentacyclo[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-dodecene-5,17-diyl]bisethylene ester
Thsaurus map：
Thesaurus Map

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