(Q65963756)

English

(−)-baconipyrone A

chemical compound

baconipyrone A
[(1S,2S,3S,4S,6S)-3-ethyl-3-hydroxy-2,4,6-trimethyl-5-oxocyclohexyl] (2S,3S,4R,6R)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoate

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Statements

instance of

type of chemical entity

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subclass of

(3-Ethyl-3-hydroxy-2,4,6-trimethyl-5-oxocyclohexyl) 6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoate

1 reference

based on heuristic

inferred from InChIKey

part of

(±)-baconipyrone A

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chemical structure

(-)-Baconipyrone A.svg
617 × 197; 53 KB

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mass

520.3036183679999 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₉H₄₄O₈

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canonical SMILES

CCC1=C(C(=O)C(=C(O1)C(C)C(=O)C(C)C(C(C)C(=O)OC2C(C(=O)C(C(C2C)(CC)O)C)C)O)C)C

1 reference

28 July 2019

[(1S,2S,3S,4S,6S)-3-Ethyl-3-hydroxy-2,4,6-trimethyl-5-oxocyclohexyl] (2S,3S,4R,6R)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoate (English)

language of work or name

CCC1=C(C(=O)C(=C(O1)[C@@H](C)C(=O)[C@H](C)[C@@H]([C@H](C)C(=O)O[C@@H]2[C@@H](C(=O)[C@H]([C@@]([C@H]2C)(CC)O)C)C)O)C)C

1 reference

28 July 2019

[(1S,2S,3S,4S,6S)-3-Ethyl-3-hydroxy-2,4,6-trimethyl-5-oxocyclohexyl] (2S,3S,4R,6R)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoate (English)

language of work or name

−100 degree

20 degree Celsius

589 nanometre

0.13 gram per 100 millilitres

1 reference

stated in

On the origin of siphonariid polypropionates: total synthesis of baconipyrone A, baconipyrone C, and siphonarin B via their putative common precursor

−82.0 degree

20 degree Celsius

589 nanometre

0.47 gram per 100 millilitres

1 reference

stated in

On the origin of siphonariid polypropionates: total synthesis of baconipyrone A, baconipyrone C, and siphonarin B via their putative common precursor

described by source

On the origin of siphonariid polypropionates: total synthesis of baconipyrone A, baconipyrone C, and siphonarin B via their putative common precursor

0 references

Identifiers

InChI

InChI=1S/C29H44O8/c1-11-21-13(3)22(30)15(5)26(36-21)16(6)23(31)14(4)24(32)18(8)28(34)37-27-17(7)25(33)19(9)29(35,12-2)20(27)10/h14,16-20,24,27,32,35H,11-12H2,1-10H3/t14-,16-,17+,18-,19+,20-,24-,27+,29+/m0/s1

1 reference

28 July 2019

[(1S,2S,3S,4S,6S)-3-Ethyl-3-hydroxy-2,4,6-trimethyl-5-oxocyclohexyl] (2S,3S,4R,6R)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoate (English)

language of work or name

NBQRYMOOBSMQSG-LLCYVISRSA-N

1 reference

28 July 2019

[(1S,2S,3S,4S,6S)-3-Ethyl-3-hydroxy-2,4,6-trimethyl-5-oxocyclohexyl] (2S,3S,4R,6R)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoate (English)

language of work or name

2 references

28 July 2019

[(1S,2S,3S,4S,6S)-3-Ethyl-3-hydroxy-2,4,6-trimethyl-5-oxocyclohexyl] (2S,3S,4R,6R)-6-(6-ethyl-3,5-dimethyl-4-oxopyran-2-yl)-3-hydroxy-2,4-dimethyl-5-oxoheptanoate (English)

language of work or name

English

PubChem CID

46704185

matched by identifier from

InChIKey

NBQRYMOOBSMQSG-LLCYVISRSA-N

1 reference