(Q104919384)

English

[5'-(Furan-3-yl)-5,6-dihydroxy-4-(hydroxymethyl)-7-methyl-2'-oxospiro[1,2,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate

group of stereoisomers with the chemical formula C₂₂H₂₈O₈

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

420.178417856 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₈

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canonical SMILES

O=C(OCC12C(=CCCC1C3(C(=O)OC(C4=COC=C4)C3)C(C)C(O)C2O)CO)C

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found in taxon

Teucrium capitatum

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stated in

ChemInform Abstract: NEW CLERODANE DITERPENOID FROM TEUCRIUM POLIUM SUBSPECIES AUREUM. X-RAY STRUCTURE DETERMINATION

Identifiers

InChI

InChI=1S/C22H28O8/c1-12-18(25)19(26)22(11-29-13(2)24)15(9-23)4-3-5-17(22)21(12)8-16(30-20(21)27)14-6-7-28-10-14/h4,6-7,10,12,16-19,23,25-26H,3,5,8-9,11H2,1-2H3

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InChIKey

AVDXUVZURBFCNE-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AVDXUVZURBFCNE-UHFFFAOYSA-N

(Q104919384)

[5'-(Furan-3-yl)-5,6-dihydroxy-4-(hydroxymethyl)-7-methyl-2'-oxospiro[1,2,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate

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Identifiers

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