Chem
J-GLOBAL ID：200907038884496400   Nikkaji number：J925.185E

(8S,9R,21S,22R)-27,28,29,30-Tetraethoxy-5α,12α:18α,25α-dipentano-8,9:21,22-diethanopentacyclo[21.3.1.13,7.110,14.116,20]triaconta-1(27),3,5,7(30),10,12,14(29),16,18,20(28),23,25-dodecaene

(33R,36S,40R,43S)-2,6,18,22-テトラエトキシノナシクロ[21.9.4.47,17.13,31.15,9.115,19.121,25.033,36.040,43]テトラテトラコンタ-1,3(37),5,7,9(44),15,17,19(39),21,23,25(38),31-ドデカエン
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： C52H64O4
Molecular formula furigana： C52-H64-O4
Molecular weight： 753.080
InChI： InChI=1S/C52H64O4/c1-5-53-49-37-23-33-15-11-9-12-17-35-25-39(51(55-7-3)46(28-35)42-20-19-41(42)45(49)27-33)32-40-26-36-18-14-10-13-16-34-24-38(31-37)50(54-6-2)47(29-34)43-21-22-44(43)48(30-36)52(40)56-8-4/h23-30,41-44H,5-22,31-32H2,1-4H3/t41-,42+,43+,44?/m0/s1
InChI key： GYEBKILPXVYDGB-ROZNDQAJSA-N
SMILES： CCOc1c2Cc3cc4CCCCCc5cc(Cc6cc7CCCCCc(c2)cc1[C@H]1CC[C@H]1c(c7)c6OCC)c(OCC)c(c5)[C@H]1CC[C@H]1c(c4)c3OCC
Systematic name  (3)：
  • (8S,9R,21S,22R)-27,28,29,30-テトラエトキシ-5α,12α:18α,25α-ジペンタノ-8,9:21,22-ジエタノペンタシクロ[21.3.1.13,7.110,14.116,20]トリアコンタ-1(27),3,5,7(30),10,12,14(29),16,18,20(28),23,25-ドデカエン
  • (33R,36S,40R,43S)-2,6,18,22-テトラエトキシノナシクロ[21.9.4.47,17.13,31.15,9.115,19.121,25.033,36.040,43]テトラテトラコンタ-1,3(37),5,7,9(44),15,17,19(39),21,23,25(38),31-ドデカエン
  • (33R,36S,40R,43S)-2,6,18,22-tetraethoxynonacyclo[21.9.4.47,17.13,31.15,9.115,19.121,25.033,36.040,43]tetratetraconta-1,3(37),5,7,9(44),15,17,19(39),21,23,25(38),31-dodecaene
Other name (1)：
  • (8S,9R,21S,22R)-27,28,29,30-Tetraethoxy-5α,12α:18α,25α-dipentano-8,9:21,22-diethanopentacyclo[21.3.1.13,7.110,14.116,20]triaconta-1(27),3,5,7(30),10,12,14(29),16,18,20(28),23,25-dodecaene
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