(Q105208999)

English

methyl 2-[(2'R,4aS,5S,8R,8aS)-5-formyloxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetate

chemical compound

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instance of

type of chemical entity

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subclass of

methyl 2-(5-formyloxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl)acetate

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=COC1C=C(C)C2(OC(C)(CC(=O)OC)CC2)C3(C)CCCC(C)(C)C13

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isomeric SMILES

COC(=O)C[C@@]1(C)CC[C@@]2(O1)C(C)=C[C@H](OC=O)[C@H]1C(C)(C)CCC[C@@]12C

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1 reference

1 reference

1 reference

Identifiers

InChI

InChI=1S/C22H34O5/c1-15-12-16(26-14-23)18-19(2,3)8-7-9-21(18,5)22(15)11-10-20(4,27-22)13-17(24)25-6/h12,14,16,18H,7-11,13H2,1-6H3/t16-,18-,20+,21-,22+/m0/s1

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InChIKey

PHJOZXITNVLKST-OAVQTBGQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PHJOZXITNVLKST-OAVQTBGQSA-N

(Q105208999)

methyl 2-[(2'R,4aS,5S,8R,8aS)-5-formyloxy-2',4,4,7,8a-pentamethylspiro[2,3,4a,5-tetrahydro-1H-naphthalene-8,5'-oxolane]-2'-yl]acetate

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