(Q105147508)

English

(9R,11R)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0¹,⁶]tridec-6-ene-8,13-dione

group of stereoisomers with the chemical formula C₃₈H₅₀O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

602.3607393199999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₈H₅₀O₆

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canonical SMILES

O=C(C1=CC=C(O)C(O)=C1)C=2C(=O)C3(C(=O)C4(C2OC(C)(C)C(CC=C(C)C)C4)CC(CC=C(C)C)C3(C)C)CC=C(C)C

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isomeric SMILES

CC(C)=CCC1CC23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(O)c4)=C2OC1(C)C)C3=O

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Identifiers

InChI

InChI=1S/C38H50O6/c1-22(2)11-14-26-20-37-21-27(15-12-23(3)4)36(9,10)44-33(37)30(31(41)25-13-16-28(39)29(40)19-25)32(42)38(34(37)43,35(26,7)8)18-17-24(5)6/h11-13,16-17,19,26-27,39-40H,14-15,18,20-21H2,1-10H3/t26-,27?,37?,38+/m1/s1

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InChIKey

KXTNVBQRLRYVCO-FENCOQSXSA-N

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PubChem CID

179605

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KXTNVBQRLRYVCO-FENCOQSXSA-N

1 reference

1 reference

matched by identifier from

InChIKey

KXTNVBQRLRYVCO-FENCOQSXSA-N

(Q105147508)

(9R,11R)-7-(3,4-dihydroxybenzoyl)-4,4,10,10-tetramethyl-3,9,11-tris(3-methylbut-2-en-1-yl)-5-oxatricyclo[7.3.1.0¹,⁶]tridec-6-ene-8,13-dione

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