(Q105185287)

English

(2E)-4-[10-hydroxy-20-(methoxycarbonyl)-5,5,6,18,18-pentamethyl-9-(3-methylbut-2-en-1-yl)-12,15-dioxo-2,7,19-trioxapentacyclo[11.7.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]icosa-3,8,10,13-tetraen-20-yl]-2-methylbut-2-enoic acid

group of stereoisomers with the chemical formula C₃₄H₄₀O₁₀

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

608.26214748 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₄H₄₀O₁₀

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canonical SMILES

O=C(O)C(=CCC1(OC(C)(C)C2CC(=O)C=C3C(=O)C=4C(O)=C(C=5OC(C)C(C5C4OC321)(C)C)CC=C(C)C)C(=O)OC)C

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isomeric SMILES

COC(=O)C1(C/C=C(\C)C(=O)O)OC(C)(C)C2CC(=O)C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4OC321)C(C)(C)C(C)O5

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C34H40O10/c1-16(2)10-11-20-25(36)23-26(37)21-14-19(35)15-22-32(7,8)44-33(30(40)41-9,13-12-17(3)29(38)39)34(21,22)43-28(23)24-27(20)42-18(4)31(24,5)6/h10,12,14,18,22,36H,11,13,15H2,1-9H3,(H,38,39)/b17-12+

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InChIKey

NSXJYXNANXQGCY-SFQUDFHCSA-N

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(Q105185287)

(2E)-4-[10-hydroxy-20-(methoxycarbonyl)-5,5,6,18,18-pentamethyl-9-(3-methylbut-2-en-1-yl)-12,15-dioxo-2,7,19-trioxapentacyclo[11.7.0.0¹,¹⁷.0³,¹¹.0⁴,⁸]icosa-3,8,10,13-tetraen-20-yl]-2-methylbut-2-enoic acid

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