Chem
J-GLOBAL ID：200907050272857862
Nikkaji number：J925.187A
(8R,9S,21R,22S)-28,30-Diethoxy-5,12:18,25-dipentano-8,9:21,22-diethano-27,29-(epoxyethanoxyethanoxyethanoxyethanoxy)pentacyclo[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
(8R,9S,21R,22S)-28,30-ジエトキシ-5,12:18,25-ジペンタノ-8,9:21,22-ジエタノ-27,29-(エポキシエタノキシエタノキシエタノキシエタノキシ)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
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
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
Molecular formula： C56H70O7
Molecular formula furigana： C56-H70-O7
Molecular weight： 855.169
InChI：
InChI=1S/C56H70O7/c1-3-60-53-41-27-37-11-7-5-9-14-40-30-44-36-42-28-38-12-8-6-10-13-39-29-43(35-41)55(52(34-39)48-18-16-46(48)50(32-38)54(42)61-4-2)62-25-23-58-21-19-57-20-22-59-24-26-63-56(44)51(33-40)47-17-15-45(47)49(53)31-37/h27-34,45-48H,3-26,35-36H2,1-2H3/t45-,46-,47+,48+/m1/s1
InChI key：
ZEMKVDVAJYSLMM-UYVQAEDUSA-N
SMILES：
CCOc1c2Cc3cc4CCCCCc5cc6Cc7cc8CCCCCc(c2)cc1[C@@H]1CC[C@@H]1c(c8)c7OCCOCCOCCOCCOc3c(c4)[C@H]1CC[C@H]1c(c5)c6OCC
Systematic name (3)：
- (8R,9S,21R,22S)-28,30-ジエトキシ-5,12:18,25-ジペンタノ-8,9:21,22-ジエタノ-27,29-(エポキシエタノキシエタノキシエタノキシエタノキシ)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
- (20S,23R,43R,46S)-25,54-ジエトキシ-5,8,11,14,17-ペンタオキサデカシクロ[38.8.5.13,26.119,34.124,28.138,42.04,47.018,36.020,23.043,46]ヘプタペンタコンタ-1(48),2,4(47),18,24(56),25,27,34(55),35,38(54),39,41-ドデカエン
- (20S,23R,43R,46S)-25,54-diethoxy-5,8,11,14,17-pentaoxadecacyclo[38.8.5.13,26.119,34.124,28.138,42.04,47.018,36.020,23.043,46]heptapentaconta-1(48),2,4(47),18,24(56),25,27,34(55),35,38(54),39,41-dodecaene
- (8R,9S,21R,22S)-28,30-Diethoxy-5,12:18,25-dipentano-8,9:21,22-diethano-27,29-(epoxyethanoxyethanoxyethanoxyethanoxy)pentacyclo[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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