(Q104947182)

English

[(2S,3S,4E,6E)-2-hydroxy-2-(4-methoxy-3,5-dimethyl-6-oxopyran-2-yl)-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-4,6-dien-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Verrucosidinol acetate

1 reference

based on heuristic

inferred from SMILES

[2-Hydroxy-2-(4-methoxy-3,5-dimethyl-6-oxopyran-2-yl)-4,6-dimethyl-7-(2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl)hepta-4,6-dien-3-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

476.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₆O₈

0 references

canonical SMILES

O=C1OC(=C(C(OC)=C1C)C)C(O)(C)C(OC(=O)C)C(=CC(=CC2(OC(C)C3(OC23)C)C)C)C

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isomeric SMILES

COc1c(C)c([C@@](C)(O)[C@@H](OC(C)=O)/C(C)=C/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@@H]23)oc(=O)c1C

0 references

found in taxon

Penicillium aurantiogriseum

1 reference

stated in

Verrucisidinol and verrucosidinol acetate, two pyrone-type polyketides isolated from a marine derived fungus, Penicillium aurantiogriseum

Identifiers

InChI

InChI=1S/C26H36O8/c1-13(12-24(7)23-26(9,34-23)17(5)33-24)11-14(2)20(31-18(6)27)25(8,29)21-15(3)19(30-10)16(4)22(28)32-21/h11-12,17,20,23,29H,1-10H3/b13-12+,14-11+/t17-,20+,23+,24+,25+,26-/m1/s1

0 references

InChIKey

BWFBYMWNGMAUMC-UELGWNLWSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BWFBYMWNGMAUMC-UELGWNLWSA-N

(Q104947182)

[(2S,3S,4E,6E)-2-hydroxy-2-(4-methoxy-3,5-dimethyl-6-oxopyran-2-yl)-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-4,6-dien-3-yl] acetate

Statements

Identifiers

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