(Q104912108)

English

(1R,5S,7R)-5-benzoyl-4-hydroxy-6,6-dimethyl-1-[(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

chemical compound

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instance of

type of chemical entity

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subclass of

5-benzoyl-4-hydroxy-6,6-dimethyl-1-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,7-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

570.37091008 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,5R,7R)-5-benzoyl-4-hydroxy-6,6-dimethyl-1-[(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₃₈H₅₀O₄

0 references

canonical SMILES

O=C(C=1C=CC=CC1)C23C(O)=C(C(=O)C(C2=O)(CC(C(=C)C)CC=C(C)C)CC(CC=C(C)C)C3(C)C)CC=C(C)C

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isomeric SMILES

C=C(C)[C@@H](CC=C(C)C)C[C@]12C[C@@H](CC=C(C)C)C(C)(C)[C@](C(=O)c3ccccc3)(C1=O)C(O)=C(CC=C(C)C)C2=O

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found in taxon

Clusia grandiflora

1 reference

stated in

Two polyisoprenylated benzophenones from the trunk latex of Clusia grandiflora (Clusiaceae)

Identifiers

InChI

InChI=1S/C38H50O4/c1-24(2)16-19-29(27(7)8)22-37-23-30(20-17-25(3)4)36(9,10)38(35(37)42,32(39)28-14-12-11-13-15-28)34(41)31(33(37)40)21-18-26(5)6/h11-18,29-30,41H,7,19-23H2,1-6,8-10H3/t29-,30+,37+,38-/m0/s1

0 references

InChIKey

AGYZTELMSPBDOD-KXWCZFPNSA-N

0 references

(Q104912108)

(1R,5S,7R)-5-benzoyl-4-hydroxy-6,6-dimethyl-1-[(2S)-5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,7-bis(3-methylbut-2-en-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

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