(Q105032610)

English

[(1R,2S,3aR,4S,7aR)-2-(acetyloxymethyl)-3a,7,7,7a-tetramethylspiro[3,4,5,6-tetrahydro-2H-indene-1,2'-oxirane]-4-yl] 3-methylbut-2-enoate

chemical compound

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type of chemical entity

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subclass of

[2-(acetyloxymethyl)-3a,7,7,7a-tetramethylspiro[3,4,5,6-tetrahydro-2H-indene-1,2'-oxirane]-4-yl] 3-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₄O₅

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canonical SMILES

O=C(OC1CCC(C)(C)C2(C)C3(OC3)C(COC(=O)C)CC12C)C=C(C)C

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isomeric SMILES

CC(=O)OC[C@@H]1C[C@@]2(C)[C@@H](OC(=O)C=C(C)C)CCC(C)(C)[C@@]2(C)[C@@]12CO2

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found in taxon

Thapsia villosa

1 reference

stated in

Non-acetalic thapsane sesquiterpenoids from Thapsia villosa var. minor

Identifiers

InChI

InChI=1S/C22H34O5/c1-14(2)10-18(24)27-17-8-9-19(4,5)21(7)20(17,6)11-16(12-25-15(3)23)22(21)13-26-22/h10,16-17H,8-9,11-13H2,1-7H3/t16-,17-,20-,21 ,22 /m0/s1

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InChIKey

HRDYCTWTALCFJU-ZBWQPJPKSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HRDYCTWTALCFJU-ZBWQPJPKSA-N

(Q105032610)

[(1R,2S,3aR,4S,7aR)-2-(acetyloxymethyl)-3a,7,7,7a-tetramethylspiro[3,4,5,6-tetrahydro-2H-indene-1,2'-oxirane]-4-yl] 3-methylbut-2-enoate

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