(Q104912652)

English

(2R,3S,6R,7S,9S,10S,12S)-7-hydroxy-3-[(E,1R)-1-hydroxy-2-methylhex-2-enyl]-12-[(1S,2R,6R)-2-hydroxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-6-methyl-5,11,13-trioxatetracyclo[7.5.0.02,6.010,12]tetradec-1(14)-en-4-one

chemical compound

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instance of

type of chemical entity

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subclass of

7-hydroxy-3-[(2E)-1-hydroxy-2-methylhex-2-en-1-yl]-12-{2-hydroxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-6-methyl-5,11,13-trioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradec-1(14)-en-4-one

1 reference

based on heuristic

inferred from SMILES

7-hydroxy-3-(1-hydroxy-2-methylhex-2-en-1-yl)-12-{2-hydroxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl}-6-methyl-5,11,13-trioxatetracyclo[7.5.0.0²,⁶.0¹⁰,¹²]tetradec-1(14)-en-4-one

1 reference

based on heuristic

inferred from SMILES

mass

474.225368048 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2S,3S,6S,7S,9R,10R,12R)-7-hydroxy-3-[(E,1S)-1-hydroxy-2-methylhex-2-enyl]-12-[(1R,2S,6S)-2-hydroxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-6-methyl-5,11,13-trioxatetracyclo[7.5.0.02,6.010,12]tetradec-1(14)-en-4-one

2 references

based on heuristic

inferred from InChIKey

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₄O₈

0 references

canonical SMILES

O=C1OC2(C)C(O)CC3C(=COC4(OC34)C56OC6(C)CC=CC5O)C2C1C(O)C(=CCCC)C

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isomeric SMILES

CCC/C=C(\C)[C@H](O)[C@H]1C(=O)O[C@@]2(C)[C@@H](O)C[C@H]3C(=CO[C@@]4([C@@]56O[C@]5(C)CC=C[C@H]6O)O[C@@H]34)[C@@H]12

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found in taxon

Acremonium rutilum

1 reference

stated in

Acremolactone A, a novel herbicidal epoxydihydropyranyl gamma-lactone from Acremonium roseum I4267

Hyalocylindrophora rosea

1 reference

stated in

Acremolactone A, a novel herbicidal epoxydihydropyranyl gamma-lactone from Acremonium roseum I4267

Identifiers

InChI

InChI=1S/C26H34O8/c1-5-6-8-13(2)20(29)18-19-15-12-31-26(25-16(27)9-7-10-23(25,3)34-25)21(32-26)14(15)11-17(28)24(19,4)33-22(18)30/h7-9,12,14,16-21,27-29H,5-6,10-11H2,1-4H3/b13-8+/t14-,16+,17-,18-,19-,20-,21-,23+,24-,25-,26+/m0/s1

0 references

InChIKey

AIDBYRCMBCUHKZ-JSPMFCFASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AIDBYRCMBCUHKZ-JSPMFCFASA-N

(Q104912652)

(2R,3S,6R,7S,9S,10S,12S)-7-hydroxy-3-[(E,1R)-1-hydroxy-2-methylhex-2-enyl]-12-[(1S,2R,6R)-2-hydroxy-6-methyl-7-oxabicyclo[4.1.0]hept-3-en-1-yl]-6-methyl-5,11,13-trioxatetracyclo[7.5.0.02,6.010,12]tetradec-1(14)-en-4-one

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