(Q105103009)

English

(2Z)-4-[(1R,2S,17S)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

group of stereoisomers with the chemical formula C₃₃H₃₆O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

560.2410181119999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₃H₃₆O₈

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canonical SMILES

O=C(O)C(=CCC12OC(C)(C)C3CC(C=C4C(=O)C5=C(O)C=6C=CC(OC6C(=C5OC431)CC=C(C)C)(C)C)C2=O)C

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isomeric SMILES

CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@@H]1C(C)(C)OC4(C/C=C(/C)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2

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Identifiers

InChI

InChI=1S/C33H36O8/c1-16(2)8-9-20-26-19(11-12-30(4,5)39-26)24(34)23-25(35)21-14-18-15-22-31(6,7)41-32(28(18)36,13-10-17(3)29(37)38)33(21,22)40-27(20)23/h8,10-12,14,18,22,34H,9,13,15H2,1-7H3,(H,37,38)/b17-10-/t18-,22-,32?,33-/m1/s1

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InChIKey

COVMVPHACFXMAX-MGYGEFQASA-N

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PubChem CID

11972415

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

COVMVPHACFXMAX-MGYGEFQASA-N

1 reference

(Q105103009)

(2Z)-4-[(1R,2S,17S)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-en-1-yl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.0²,¹⁵.0²,¹⁹.0⁴,¹³.0⁶,¹¹]docosa-4(13),5,9,11,15-pentaen-19-yl]-2-methylbut-2-enoic acid

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