(Q105166669)

English

[(3R,4S,5S,6R)-6-[2-[(3S,3aS,5R,8aR)-3-methyl-8-methylidene-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-5-yl]propan-2-yloxy]-4-acetyloxy-5-hydroxyoxan-3-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-(acetyloxy)-5-hydroxy-6-{[2-(3-methyl-8-methylidene-octahydro-1H-azulen-5-yl)propan-2-yl]oxy}oxan-3-yl acetate

1 reference

based on heuristic

inferred from SMILES

mass

438.261753556 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₈O₇

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canonical SMILES

O=C(OC1COC(OC(C)(C)C2CCC(=C)C3CCC(C)C3C2)C(O)C1OC(=O)C)C

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isomeric SMILES

C=C1CC[C@@H](C(C)(C)O[C@H]2OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2O)C[C@H]2[C@@H](C)CC[C@@H]12

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found in taxon

Lessingia glandulifera

1 reference

stated in

Sesquiterpenoid glycosides and an acetogenin glucoside from Lessingia glandulifera

Identifiers

InChI

InChI=1S/C24H38O7/c1-13-7-9-17(11-19-14(2)8-10-18(13)19)24(5,6)31-23-21(27)22(30-16(4)26)20(12-28-23)29-15(3)25/h14,17-23,27H,1,7-12H2,2-6H3/t14-,17+,18-,19-,20+,21-,22+,23+/m0/s1

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InChIKey

MLHWAKJUYHPYIX-UEEGORRNSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MLHWAKJUYHPYIX-UEEGORRNSA-N

(Q105166669)

[(3R,4S,5S,6R)-6-[2-[(3S,3aS,5R,8aR)-3-methyl-8-methylidene-2,3,3a,4,5,6,7,8a-octahydro-1H-azulen-5-yl]propan-2-yloxy]-4-acetyloxy-5-hydroxyoxan-3-yl] acetate

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Identifiers

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