(Q105352207)

English

(1R,5R,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-5,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1-[5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-5,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

1 reference

based on heuristic

inferred from SMILES

mass

602.36073932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₅₀O₆

0 references

canonical SMILES

O=C(C1=CC=C(O)C(O)=C1)C=2C(=O)C3(C(=O)C(C2O)(CC=C(C)C)CC(CC=C(C)C)C3(C)C)CC(C(=C)C)CCC(=C)C

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isomeric SMILES

C=C(C)CC[C@H](C[C@@]12C(=O)C(C(=O)c3ccc(O)c(O)c3)=C(O)[C@@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C2=O)C(=C)C

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found in taxon

Moronobea coccinea

2 references

stated in

Antiplasmodial benzophenones from the trunk latex of Moronobea coccinea (Clusiaceae).

stated in

Antiplasmodial benzophenones from the trunk latex of Moronobea coccinea (Clusiaceae).

Identifiers

InChI

InChI=1S/C38H50O6/c1-22(2)11-13-27(25(7)8)20-38-34(43)31(32(41)26-14-16-29(39)30(40)19-26)33(42)37(35(38)44,18-17-24(5)6)21-28(36(38,9)10)15-12-23(3)4/h12,14,16-17,19,27-28,39-40,42H,1,7,11,13,15,18,20-21H2,2-6,8-10H3/t27-,28-,37-,38+/m1/s1

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InChIKey

YQFBXKUXMNHGME-LPEHXNHASA-N

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(Q105352207)

(1R,5R,7R)-3-(3,4-dihydroxybenzoyl)-4-hydroxy-8,8-dimethyl-1-[(2R)-5-methyl-2-(prop-1-en-2-yl)hex-5-en-1-yl]-5,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

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