(Q105262283)

English

[(4R,4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(3-oxocyclopenten-1-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl hydrogen carbonate

chemical compound

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instance of

type of chemical entity

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subclass of

chemical compound

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mass

392.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₆

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canonical SMILES

O=C(O)OCC12C(O)CC(C)C(C)(CCC3=CC(=O)CC3)C2CCCC41OC4

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isomeric SMILES

C[C@@H]1C[C@H](O)[C@]2(COC(=O)O)[C@H](CCC[C@]23CO3)[C@@]1(C)CCC1=CC(=O)CC1

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found in taxon

Ajuga integrifolia

1 reference

stated in

Flavonol and iridoid glycosides of Ajuga remota aerial parts

Identifiers

InChI

InChI=1S/C22H32O6/c1-14-10-18(24)22(13-27-19(25)26)17(4-3-8-21(22)12-28-21)20(14,2)9-7-15-5-6-16(23)11-15/h11,14,17-18,24H,3-10,12-13H2,1-2H3,(H,25,26)/t14-,17-,18+,20+,21+,22+/m1/s1

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InChIKey

SVOGBBRWINEYPF-FYHNCAPNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SVOGBBRWINEYPF-FYHNCAPNSA-N

(Q105262283)

[(4R,4aR,5S,7R,8S,8aR)-5-hydroxy-7,8-dimethyl-8-[2-(3-oxocyclopenten-1-yl)ethyl]spiro[2,3,5,6,7,8a-hexahydro-1H-naphthalene-4,2'-oxirane]-4a-yl]methyl hydrogen carbonate

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Identifiers

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