Chem
J-GLOBAL ID：200907060329224581   Nikkaji number：J925.182K

(8S,9R,21S,22R)-28,29,30-Trimethoxy-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-トリメトキシ-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： C47H54O4
Molecular formula furigana： C47-H54-O4
Molecular weight： 682.945
InChI： InChI=1S/C47H54O4/c1-49-45-33-19-29-11-8-5-9-13-31-21-35(47(51-3)43(25-31)39-17-16-38(39)42(45)24-29)27-34-20-30-12-7-4-6-10-28-18-32(26-33)44(48)40(22-28)36-14-15-37(36)41(23-30)46(34)50-2/h18-25,36-39,48H,4-17,26-27H2,1-3H3/t36-,37?,38+,39-/m1/s1
InChI key： JZMFXWAWBSRHJG-BKGPKWNWSA-N
SMILES： COc1c2Cc3cc4CCCCCc5cc(Cc6cc7CCCCCc(c2)cc1[C@H]1CC[C@H]1c(c7)c6OC)c(OC)c(c5)[C@H]1CC[C@H]1c(c4)c3O
Systematic name  (3)：
  • (8S,9R,21S,22R)-28,29,30-トリメトキシ-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-トリメトキシノナシクロ[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-trimethoxynonacyclo[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-Trimethoxy-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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