Chem
J-GLOBAL ID：200907077344354661
Nikkaji number：J925.186C
(8R,9S,21R,22S)-28,30-Dimethoxy-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-ジメトキシ-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： C54H66O7
Molecular formula furigana： C54-H66-O7
Molecular weight： 827.115
InChI：
InChI=1S/C54H66O7/c1-55-51-39-25-35-9-5-3-7-12-38-28-42-34-40-26-36-10-6-4-8-11-37-27-41(33-39)53(50(32-37)46-16-14-44(46)48(30-36)52(40)56-2)60-23-21-58-19-17-57-18-20-59-22-24-61-54(42)49(31-38)45-15-13-43(45)47(51)29-35/h25-32,43-46H,3-24,33-34H2,1-2H3/t43-,44-,45+,46+/m1/s1
InChI key：
KNZDFBZHELVABZ-NLBJKKAISA-N
SMILES：
COc1c2Cc3cc4CCCCCc5cc6Cc7cc8CCCCCc(c2)cc1[C@@H]1CC[C@@H]1c(c8)c7OCCOCCOCCOCCOc3c(c4)[C@H]1CC[C@H]1c(c5)c6OC
Systematic name (3)：
- (8R,9S,21R,22S)-28,30-ジメトキシ-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-ジメトキシ-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-dimethoxy-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-Dimethoxy-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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