Chem
J-GLOBAL ID：201707015231351795   Nikkaji number：J3.554.002D

1β,3β-[6,7-Bis(methoxycarbonyl)naphthalene-2,3-diyl]-5β,7β-[6,7-bis(methoxycarbonyl)naphthalene-2,3-diyl]-9β,11β-[6,7-bis(methoxycarbonyl)naphthalene-2,3-diyl]-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene

1β,3β-[6,7-ビス(メトキシカルボニル)ナフタレン-2,3-ジイル]-5β,7β-[6,7-ビス(メトキシカルボニル)ナフタレン-2,3-ジイル]-9β,11β-[6,7-ビス(メトキシカルボニル)ナフタレン-2,3-ジイル]-1,2,3,4,5,6,7,8,9,10,11,12-ドデカヒドロトリフェニレン
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： C60H48O12
Molecular formula furigana： C60-H48-O12
Molecular weight： 961.032
InChI： InChI=1S/C60H48O12/c1-67-55(61)43-13-25-7-34-31-19-40(37(34)10-28(25)16-46(43)58(64)70-4)52-49(22-31)53-41-20-33(36-9-27-15-45(57(63)69-3)47(59(65)71-5)17-29(27)11-38(36)41)24-51(53)54-42-21-32(23-50(52)54)35-8-26-14-44(56(62)68-2)48(60(66)72-6)18-30(26)12-39(35)42/h7-18,31-33,40-42H,19-24H2,1-6H3/t31-,32-,33-,40-,41-,42-/m1/s1
InChI key： MEDMBNNSQAJFEN-HOTYUAPUSA-N
SMILES： COC(=O)c1cc2cc3[C@@H]4C[C@H](c3cc2cc1C(=O)OC)c1c(C4)c2[C@@H]3C[C@H](Cc2c2[C@@H]4C[C@H](Cc12)c1cc2cc(C(=O)OC)c(cc2cc41)C(=O)OC)c1cc2cc(C(=O)OC)c(cc2cc31)C(=O)OC
Systematic name  (3)：
  • 1β,3β-[6,7-ビス(メトキシカルボニル)ナフタレン-2,3-ジイル]-5β,7β-[6,7-ビス(メトキシカルボニル)ナフタレン-2,3-ジイル]-9β,11β-[6,7-ビス(メトキシカルボニル)ナフタレン-2,3-ジイル]-1,2,3,4,5,6,7,8,9,10,11,12-ドデカヒドロトリフェニレン
  • 10,11,25,26,40,41-ヘキサメチル (1R,5R,16R,20R,31R,35R)-トリデカシクロ[33.10.1.15,16.120,31.02,33.03,17.06,15.08,13.018,32.021,30.023,28.036,45.038,43]オクタテトラコンタ-2(33),3(17),6,8,10,12,14,18(32),21(30),22,24,26,28,36(45),37,39,41,43-オクタデカエン-10,11,25,26,40,41-ヘキサカルボキシラート
  • 10,11,25,26,40,41-hexamethyl (1R,5R,16R,20R,31R,35R)-tridecacyclo[33.10.1.15,16.120,31.02,33.03,17.06,15.08,13.018,32.021,30.023,28.036,45.038,43]octatetraconta-2(33),3(17),6,8,10,12,14,18(32),21(30),22,24,26,28,36(45),37,39,41,43-octadecaene-10,11,25,26,40,41-hexacarboxylate
Other name (1)：
  • 1β,3β-[6,7-Bis(methoxycarbonyl)naphthalene-2,3-diyl]-5β,7β-[6,7-bis(methoxycarbonyl)naphthalene-2,3-diyl]-9β,11β-[6,7-bis(methoxycarbonyl)naphthalene-2,3-diyl]-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene
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