(Q105027933)

English

[(4S,4aR,5S,5'S,7R,8R,8aS)-5-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-4-hydroxy-7-methyl-2',3-dioxospiro[1,2,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-(acetyloxy)-5-(chloromethyl)-5'-(furan-3-yl)-5-hydroxy-2-methyl-2',6-dioxo-hexahydrospiro[naphthalene-1,3'-oxolan]-4a-ylmethyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

496.150010188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₄H₂₉ClO₉

0 references

canonical SMILES

O=C(OCC12C(OC(=O)C)CC(C)C3(C(=O)OC(C4=COC=C4)C3)C2CCC(=O)C1(O)CCl)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@@H](c4ccoc4)OC3=O)[C@H]1CCC(=O)[C@]2(O)CCl

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found in taxon

Teucrium africanum

1 reference

stated in

The X-ray structure and absolute configuration of insect antifeedant clerodane diterpenoids from Teucrium africanum

Identifiers

InChI

InChI=1S/C24H29ClO9/c1-13-8-20(33-15(3)27)23(12-32-14(2)26)18(4-5-19(28)24(23,30)11-25)22(13)9-17(34-21(22)29)16-6-7-31-10-16/h6-7,10,13,17-18,20,30H,4-5,8-9,11-12H2,1-3H3/t13-,17+,18-,20+,22-,23+,24-/m1/s1

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InChIKey

HGRPKRPLVRKNRF-QSQWZJICSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105027933)

[(4S,4aR,5S,5'S,7R,8R,8aS)-5-acetyloxy-4-(chloromethyl)-5'-(furan-3-yl)-4-hydroxy-7-methyl-2',3-dioxospiro[1,2,5,6,7,8a-hexahydronaphthalene-8,3'-oxolane]-4a-yl]methyl acetate

Statements

Identifiers

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