Chem
J-GLOBAL ID：200907097719263708   Nikkaji number：J925.179K

(8S,9R,21S,22R)-30-Ethoxy-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-27,28,29-triol

(8S,9R,21S,22R)-30-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-27,28,29-トリオール
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/c1-2-50-46-34-20-30-12-8-4-7-10-28-18-32(44(48)41(23-28)37-15-16-38(37)42(46)24-30)25-31-17-27-9-5-3-6-11-29-19-33(26-34)45(49)40(22-29)36-14-13-35(36)39(21-27)43(31)47/h17-24,35-38,47-49H,2-16,25-26H2,1H3/t35?,36-,37-,38+/m1/s1
InChI key： MLRVVZNHQCGAIB-VSHXABFBSA-N
SMILES： CCOc1c2Cc3cc4CCCCCc5cc(Cc6cc7CCCCCc(c2)cc1[C@H]1CC[C@H]1c(c7)c6O)c(O)c(c5)[C@H]1CC[C@H]1c(c4)c3O
Systematic name  (3)：
  • (8S,9R,21S,22R)-30-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-27,28,29-トリオール
  • (33R,36S,40R,43S)-22-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-2,6,18-トリオール
  • (33R,36S,40R,43S)-22-ethoxynonacyclo[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-2,6,18-triol
Other name (1)：
  • (8S,9R,21S,22R)-30-Ethoxy-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-27,28,29-triol
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