Chem
J-GLOBAL ID：200907086720438307   Nikkaji number：J927.411A

(8S,9R,21S,22R)-29,30-Dimethoxy-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-27,28-diol

(8S,9R,21S,22R)-29,30-ジメトキシ-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-27,28-ジオール
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： C46H52O4
Molecular formula furigana： C46-H52-O4
Molecular weight： 668.918
InChI： InChI=1S/C46H52O4/c1-49-45-33-19-29-11-7-4-8-12-30-20-34(46(50-2)42(24-30)38-16-15-37(38)41(45)23-29)26-32-18-28-10-6-3-5-9-27-17-31(25-33)43(47)39(21-27)35-13-14-36(35)40(22-28)44(32)48/h17-24,35-38,47-48H,3-16,25-26H2,1-2H3/t35-,36?,37+,38-/m1/s1
InChI key： XISDEBKMTFLXHF-FJJZNFPYSA-N
SMILES： COc1c2Cc3cc4CCCCCc5cc(Cc6cc7CCCCCc(c2)cc1[C@H]1CC[C@H]1c(c7)c6OC)c(O)c(c5)[C@H]1CC[C@H]1c(c4)c3O
Systematic name  (3)：
  • (8S,9R,21S,22R)-29,30-ジメトキシ-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-27,28-ジオール
  • (33R,36S,40R,43S)-6,18-ジ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-2,22-ジオール
  • (33R,36S,40R,43S)-6,18-dimethoxynonacyclo[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-2,22-diol
Other name (1)：
  • (8S,9R,21S,22R)-29,30-Dimethoxy-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-27,28-diol
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