(Q105308413)

English

(3R)-3-[(2R,3R,8S)-5-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-4,7-dioxo-2,3-dihydrochromen-6-yl]-3-phenylpropanoic acid

chemical compound

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instance of

type of chemical entity

0 references

1 reference

1 reference

560.313789128 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S)-3-[(2R,3S,8S)-5-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-[(2S)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-4,7-dioxo-2,3-dihydrochromen-6-yl]-3-phenylpropanoic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₄O₆

0 references

canonical SMILES

O=C(O)CC(C=1C=CC=CC1)C=2C(=O)C(C=3OC(C)C(C(=O)C3C2O)C)(CC=C(C)C)CC(C(=C)C)CC=C(C)C

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isomeric SMILES

C=C(C)[C@H](CC=C(C)C)C[C@]1(CC=C(C)C)C(=O)C([C@H](CC(=O)O)c2ccccc2)=C(O)C2=C1O[C@H](C)[C@@H](C)C2=O

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found in taxon

Alexandrian laurel

2 references

stated in

Inocalophyllins A, B and their methyl esters from the seeds of Calophyllum inophyllum

stated in

Antimicrobial and cytotoxic agents from Calophyllum inophyllum

Identifiers

InChI

InChI=1S/C35H44O6/c1-20(2)14-15-26(22(5)6)19-35(17-16-21(3)4)33(40)29(27(18-28(36)37)25-12-10-9-11-13-25)32(39)30-31(38)23(7)24(8)41-34(30)35/h9-14,16,23-24,26-27,39H,5,15,17-19H2,1-4,6-8H3,(H,36,37)/t23-,24-,26-,27-,35-/m1/s1

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InChIKey

WMAJMUHAAGXJIK-ZEUXJENCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WMAJMUHAAGXJIK-ZEUXJENCSA-N

(Q105308413)

(3R)-3-[(2R,3R,8S)-5-hydroxy-2,3-dimethyl-8-(3-methylbut-2-enyl)-8-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]-4,7-dioxo-2,3-dihydrochromen-6-yl]-3-phenylpropanoic acid

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