(Q105230320)

English

(6S)-3,5-dihydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-methyl-6-(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

3,5-Dihydroxy-4-[(2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl)methyl]-6-methyl-6-(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

1 reference

based on heuristic

inferred from SMILES

mass

430.271924316 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(6R)-3,5-dihydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-methyl-6-(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(6R)-3,5-dihydroxy-4-[[(1S,2R,5R)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-methyl-6-(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₅

0 references

canonical SMILES

O=C(C1=C(O)C(=C(O)C(C1=O)(C)CC=C(C)C)CC2C(C(=C)C)CCC2(O)C)C(C)C

0 references

isomeric SMILES

C=C(C)[C@H]1CC[C@](C)(O)[C@@H]1CC1=C(O)[C@](C)(CC=C(C)C)C(=O)C(C(=O)C(C)C)=C1O

0 references

found in taxon

Hypericum calycinum

1 reference

stated in

New Cell Growth-Inhibitory Cyclohexadienone Derivatives fromHypericum calycinum L.

Identifiers

InChI

InChI=1S/C26H38O5/c1-14(2)9-11-25(7)23(29)18(22(28)20(24(25)30)21(27)16(5)6)13-19-17(15(3)4)10-12-26(19,8)31/h9,16-17,19,28-29,31H,3,10-13H2,1-2,4-8H3/t17-,19-,25+,26+/m1/s1

0 references

InChIKey

QYPGFMLLGVPVHG-YLGYYXADSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QYPGFMLLGVPVHG-YLGYYXADSA-N

(Q105230320)

(6S)-3,5-dihydroxy-4-[[(1R,2S,5S)-2-hydroxy-2-methyl-5-prop-1-en-2-ylcyclopentyl]methyl]-6-methyl-6-(3-methylbut-2-enyl)-2-(2-methylpropanoyl)cyclohexa-2,4-dien-1-one

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