(Q105131966)

English

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

chemical compound

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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) 3-hydroxy-2,4-dimethyl-5-oxo-6-(3,5,6-trimethyl-4-oxopyran-2-yl)heptanoate

1 reference

based on heuristic

inferred from SMILES

mass

506.287968304 dalton

1 reference

1 reference

inferred from InChIKey

chemical formula

C₂₈H₄₂O₈

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canonical SMILES

O=C1C(=C(OC(=C1C)C(C(=O)C(C)C(O)C(C(=O)OC2C(C(=O)C(C)C(O)(CC)C2C)C)C)C)C)C

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isomeric SMILES

CC[C@]1(O)[C@@H](C)C(=O)[C@H](C)[C@H](OC(=O)[C@H](C)[C@H](O)[C@H](C)C(=O)[C@@H](C)c2oc(C)c(C)c(=O)c2C)[C@H]1C

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found in taxon

Siphonaria zelandica

1 reference

stated in

The baconipyrones. Novel polypropionates from the pulmonate Siphonaria baconi

Identifiers

InChI

InChI=1S/C28H42O8/c1-11-28(34)18(8)24(32)16(6)26(19(28)9)36-27(33)17(7)23(31)13(3)22(30)15(5)25-14(4)21(29)12(2)20(10)35-25/h13,15-19,23,26,31,34H,11H2,1-10H3/t13-,15-,16+,17-,18+,19-,23-,26+,28+/m1/s1

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InChIKey

JNKMSCYJWSFNIT-NJEIKRNQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JNKMSCYJWSFNIT-NJEIKRNQSA-N

1 reference

(Q105131966)

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

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