(Q105186464)

English

[(1S,2R,6R,7S,9S,11S,12S)-11-acetyloxy-1-[(2S)-2-acetyloxy-2-(furan-3-yl)ethyl]-12-methyl-8-oxospiro[10-oxatricyclo[7.2.1.02,7]dodecane-6,2'-oxirane]-7-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[11'-(acetyloxy)-7'-[(acetyloxy)methyl]-12'-methyl-8'-oxo-10'-oxaspiro[oxirane-2,6'-tricyclo[7.2.1.0²,⁷]dodecan]-1'-yl]-1-(furan-3-yl)ethyl acetate

1 reference

1 reference

504.199547224 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₂O₁₀

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canonical SMILES

O=C(OCC12C(=O)C3OC(OC(=O)C)C(CC(OC(=O)C)C4=COC=C4)(C3C)C2CCCC51OC5)C

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isomeric SMILES

CC(=O)OC[C@@]12C(=O)[C@H]3O[C@@H](OC(C)=O)[C@](C[C@H](OC(C)=O)c4ccoc4)([C@@H]3C)[C@H]1CCC[C@]21CO1

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found in taxon

Teucrium cossonii

1 reference

stated in

Neo-clerodane diterpenoids from three species of Teucrium

Identifiers

InChI

InChI=1S/C26H32O10/c1-14-21-22(30)26(13-32-15(2)27)20(6-5-8-24(26)12-33-24)25(14,23(36-21)35-17(4)29)10-19(34-16(3)28)18-7-9-31-11-18/h7,9,11,14,19-21,23H,5-6,8,10,12-13H2,1-4H3/t14-,19+,20-,21+,23-,24+,25-,26+/m1/s1

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InChIKey

NVXHMXWENIMUMU-XUHJHLEJSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105186464)

[(1S,2R,6R,7S,9S,11S,12S)-11-acetyloxy-1-[(2S)-2-acetyloxy-2-(furan-3-yl)ethyl]-12-methyl-8-oxospiro[10-oxatricyclo[7.2.1.02,7]dodecane-6,2'-oxirane]-7-yl]methyl acetate

Statements

Identifiers

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