(Q105266810)

English

[(2S,3aS,4S,6R,6aS,7S,8R,10aR)-6,8-diacetyloxy-2-(furan-3-yl)-2-hydroxy-3a,4-dimethylspiro[4,5,6,8,9,10-hexahydro-3H-benzo[h][1]benzofuran-7,2'-oxirane]-6a-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6,8-diacetyloxy-2-(furan-3-yl)-2-hydroxy-3a,4-dimethylspiro[4,5,6,8,9,10-hexahydro-3H-benzo[h][1]benzofuran-7,2'-oxirane]-6a-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

506.215197288 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₄O₁₀

0 references

canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C3(C)CC(O)(OC32CCC(OC(=O)C)C41OC4)C5=COC=C5)C

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isomeric SMILES

CC(=O)OC[C@]12[C@H](OC(C)=O)C[C@H](C)[C@]3(C)C[C@@](O)(c4ccoc4)O[C@]31CC[C@@H](OC(C)=O)[C@@]21CO1

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found in taxon

Teucrium oliverianum

1 reference

stated in

neo-Clerodane diterpenoids from Teucrium oliverianum and structure revision of teucrolin E.

Identifiers

InChI

InChI=1S/C26H34O10/c1-15-10-21(35-18(4)29)23(13-32-16(2)27)24(14-33-24)20(34-17(3)28)6-8-26(23)22(15,5)12-25(30,36-26)19-7-9-31-11-19/h7,9,11,15,20-21,30H,6,8,10,12-14H2,1-5H3/t15-,20+,21+,22-,23+,24-,25-,26+/m0/s1

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InChIKey

TXKGSLWXTMOCHC-QQINISSKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

TXKGSLWXTMOCHC-QQINISSKSA-N

(Q105266810)

[(2S,3aS,4S,6R,6aS,7S,8R,10aR)-6,8-diacetyloxy-2-(furan-3-yl)-2-hydroxy-3a,4-dimethylspiro[4,5,6,8,9,10-hexahydro-3H-benzo[h][1]benzofuran-7,2'-oxirane]-6a-yl]methyl acetate

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