(Q104912162)

English

[(3S,4R,4aR,5R,7R,8R,8aS)-3-acetyloxy-8-[2-(furan-3-yl)ethyl]-5,7,8a-trihydroxy-7,8-dimethyl-6-oxospiro[1,2,3,5-tetrahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3-Acetyloxy-8-[2-(furan-3-yl)ethyl]-5,7,8a-trihydroxy-7,8-dimethyl-6-oxospiro[1,2,3,5-tetrahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

480.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₃₂O₁₀

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canonical SMILES

O=C(OCC12C(O)C(=O)C(O)(C)C(C)(CCC3=COC=C3)C2(O)CCC(OC(=O)C)C41OC4)C

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isomeric SMILES

CC(=O)OC[C@@]12[C@@H](O)C(=O)[C@](C)(O)[C@](C)(CCc3ccoc3)[C@@]1(O)CC[C@H](OC(C)=O)[C@]21CO1

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found in taxon

Teucrium orientale

1 reference

stated in

Neoclerodanes from Teucrium orientale.

Identifiers

InChI

InChI=1S/C24H32O10/c1-14(25)32-12-22-19(28)18(27)21(4,29)20(3,8-5-16-7-10-31-11-16)24(22,30)9-6-17(34-15(2)26)23(22)13-33-23/h7,10-11,17,19,28-30H,5-6,8-9,12-13H2,1-4H3/t17-,19-,20-,21-,22-,23+,24-/m0/s1

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InChIKey

AHBOQICKWFLQLC-PQURANIKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AHBOQICKWFLQLC-PQURANIKSA-N

1 reference

(Q104912162)

[(3S,4R,4aR,5R,7R,8R,8aS)-3-acetyloxy-8-[2-(furan-3-yl)ethyl]-5,7,8a-trihydroxy-7,8-dimethyl-6-oxospiro[1,2,3,5-tetrahydronaphthalene-4,2'-oxirane]-4a-yl]methyl acetate

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Identifiers

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