Chem
J-GLOBAL ID：200907095479729868   Nikkaji number：J925.183I

(8S,9R,21S,22R)-28,29,30-Triethoxy-5,12:18,25-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-27-ol

(8S,9R,21S,22R)-28,29,30-トリエトキシ-5,12:18,25-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-27-オール
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： C50H60O4
Molecular formula furigana： C50-H60-O4
Molecular weight： 725.026
InChI： InChI=1S/C50H60O4/c1-4-52-48-36-22-32-14-11-8-12-16-34-24-38(50(54-6-3)46(28-34)42-20-19-41(42)45(48)27-32)30-37-23-33-15-10-7-9-13-31-21-35(29-36)47(51)43(25-31)39-17-18-40(39)44(26-33)49(37)53-5-2/h21-28,39-42,51H,4-20,29-30H2,1-3H3/t39-,40?,41+,42-/m1/s1
InChI key： BTFUAPIBRFSLHB-MMHNCMHNSA-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)c3O
Systematic name  (3)：
  • (8S,9R,21S,22R)-28,29,30-トリエトキシ-5,12:18,25-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-27-オール
  • (33R,36S,40R,43S)-6,18,22-トリ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-2-オール
  • (33R,36S,40R,43S)-6,18,22-triethoxynonacyclo[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-dodecaen-2-ol
Other name (1)：
  • (8S,9R,21S,22R)-28,29,30-Triethoxy-5,12:18,25-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-27-ol
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