(Q105113661)

English

(1S,4R,7R,8R,10S)-12-(3,4-dihydroxybenzoyl)-13-hydroxy-3,3,9,9-tetramethyl-8,10-bis(3-methylbut-2-en-1-yl)-4-(prop-1-en-2-yl)tricyclo[8.3.1.0¹,⁷]tetradec-12-ene-11,14-dione

chemical compound

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instance of

type of chemical entity

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subclass of

12-(3,4-dihydroxybenzoyl)-13-hydroxy-3,3,9,9-tetramethyl-8,10-bis(3-methylbut-2-en-1-yl)-4-(prop-1-en-2-yl)tricyclo[8.3.1.0¹,⁷]tetradec-12-ene-11,14-dione

1 reference

based on heuristic

inferred from SMILES

mass

602.36073932 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,4S,7S,8S,10S)-12-(3,4-dihydroxybenzoyl)-13-hydroxy-3,3,9,9-tetramethyl-8,10-bis(3-methylbut-2-en-1-yl)-4-(prop-1-en-2-yl)tricyclo[8.3.1.0¹,⁷]tetradec-12-ene-11,14-dione

1 reference

based on heuristic

inferred from InChI

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(C2O)CC(C)(C)C(C(=C)C)CCC4C(CC=C(C)C)C3(C)C)CC=C(C)C

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isomeric SMILES

C=C(C)[C@H]1CC[C@@H]2[C@@H](CC=C(C)C)C(C)(C)[C@]3(CC=C(C)C)C(=O)C(C(=O)c4ccc(O)c(O)c4)=C(O)[C@@]2(CC1(C)C)C3=O

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found in taxon

Garcinia xanthochymus

1 reference

stated in

Bioactive benzophenones from Garcinia xanthochymus fruits

Identifiers

InChI

InChI=1S/C38H50O6/c1-21(2)11-13-26-27-15-14-25(23(5)6)35(7,8)20-37(27)32(42)30(31(41)24-12-16-28(39)29(40)19-24)33(43)38(34(37)44,36(26,9)10)18-17-22(3)4/h11-12,16-17,19,25-27,39-40,42H,5,13-15,18,20H2,1-4,6-10H3/t25-,26-,27-,37+,38-/m1/s1

(Q105113661)

(1S,4R,7R,8R,10S)-12-(3,4-dihydroxybenzoyl)-13-hydroxy-3,3,9,9-tetramethyl-8,10-bis(3-methylbut-2-en-1-yl)-4-(prop-1-en-2-yl)tricyclo[8.3.1.0¹,⁷]tetradec-12-ene-11,14-dione

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