(Q105306353)

English

methyl 2-[(13E)-1,11,16,21-tetrahydroxy-10,20,24,29-tetramethyl-5-(2-methylprop-1-en-1-yl)-9,25-dioxo-4,8,27,28-tetraoxapentacyclo[17.7.1.1³,⁷.1¹¹,¹⁵.0²¹,²⁶]nonacosan-13-ylidene]acetate

group of stereoisomers with the chemical formula C₃₆H₅₄O₁₂

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instance of

group of stereoisomers

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1 reference

678.361527168 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₅₄O₁₂

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canonical SMILES

O=C(OC)C=C1CC2OC(O)(C1)C(C(=O)OC3CC(OC(CC4(O)OC(CCC2O)C(C)C5(O)CCC(C(=O)C45)C)C3C)C=C(C)C)C

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isomeric SMILES

COC(=O)/C=C1\CC2OC(O)(C1)C(C)C(=O)OC1CC(C=C(C)C)OC(CC3(O)OC(CCC2O)C(C)C2(O)CCC(C)C(=O)C32)C1C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C36H54O12/c1-18(2)12-24-15-27-20(4)29(45-24)17-36(43)32-31(39)19(3)10-11-34(32,41)21(5)26(47-36)9-8-25(37)28-13-23(14-30(38)44-7)16-35(42,48-28)22(6)33(40)46-27/h12,14,19-22,24-29,32,37,41-43H,8-11,13,15-17H2,1-7H3/b23-14+

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InChIKey

WILYBKPDJRBLGL-OEAKJJBVSA-N

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PubChem CID

6477435

1 reference

matched by identifier from

InChIKey

WILYBKPDJRBLGL-OEAKJJBVSA-N

(Q105306353)

methyl 2-[(13E)-1,11,16,21-tetrahydroxy-10,20,24,29-tetramethyl-5-(2-methylprop-1-en-1-yl)-9,25-dioxo-4,8,27,28-tetraoxapentacyclo[17.7.1.1³,⁷.1¹¹,¹⁵.0²¹,²⁶]nonacosan-13-ylidene]acetate

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