Chem
J-GLOBAL ID:200907027423425062   Nikkaji number:J2.695.768K

5,11,17-Tri-tert-butyl-23-[[(1β,5β)-6,6-dimethylbicyclo[3.1.1]hepta-2-ene-2-yl]methoxy]-26,27,28-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25-ol

5,11,17-トリ-tert-ブチル-23-[[(1β,5β)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-イル]メトキシ]-26,27,28-トリプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25-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: C59H80O5
Molecular formula furigana: C59-H80-O5
Molecular weight: 869.284
InChI: InChI=1S/C59H80O5/c1-15-20-61-53-40-23-38-33-50(64-36-37-18-19-46-35-51(37)59(46,13)14)34-39(52(38)60)24-41-28-48(57(7,8)9)30-43(54(41)62-21-16-2)26-45-32-49(58(10,11)12)31-44(55(45)63-22-17-3)25-42(53)29-47(27-40)56(4,5)6/h18,27-34,46,51,60H,15-17,19-26,35-36H2,1-14H3/t46-,51-/m0/s1
InChI key: ZIJQZOVOVBMJKE-YWHGXOANSA-N
SMILES: CCCOc1c2Cc3cc(OCC4=CC[C@H]5C[C@@H]4C5(C)C)cc(Cc4cc(cc(Cc5cc(cc(Cc1cc(c2)C(C)(C)C)c5OCCC)C(C)(C)C)c4OCCC)C(C)(C)C)c3O
Systematic name  (3):
  • 5,11,17-トリ-tert-ブチル-23-[[(1β,5β)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-イル]メトキシ]-26,27,28-トリプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25-オール
  • 5,11,17-トリ-tert-ブチル-23-{[(1R,5S)-6,6-ジメチルビシクロ[3.1.1]ヘプタ-2-エン-2-イル]メトキシ}-26,27,28-トリプロポキシペンタシクロ[19.3.1.13,7.19,13.115,19]オクタコサ-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-ドデカエン-25-オール
  • 5,11,17-tri-tert-butyl-23-{[(1R,5S)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methoxy}-26,27,28-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaen-25-ol
Other name (1):
  • 5,11,17-Tri-tert-butyl-23-[[(1β,5β)-6,6-dimethylbicyclo[3.1.1]hepta-2-ene-2-yl]methoxy]-26,27,28-tripropoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-25-ol
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