(Q105146041)

English

methyl 2-[(2'R,4aS,8R,8aS)-2',4,4,7,8a-pentamethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-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-(2',4,4,7,8a-pentamethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-8,5'-oxolane]-2'-yl)acetate

1 reference

based on heuristic

inferred from SMILES

mass

348.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[(2'R,4aR,8R,8aS)-2',4,4,7,8a-pentamethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-8,5'-oxolane]-2'-yl]acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₄

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canonical SMILES

O=C(OC)CC1(OC2(C(=CC(=O)C3C(C)(C)CCCC32C)C)CC1)C

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isomeric SMILES

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

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1 reference

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Identifiers

InChI

InChI=1S/C21H32O4/c1-14-12-15(22)17-18(2,3)8-7-9-20(17,5)21(14)11-10-19(4,25-21)13-16(23)24-6/h12,17H,7-11,13H2,1-6H3/t17-,19+,20-,21+/m0/s1

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InChIKey

KUBAOQBRCXDAHO-FYZZASKESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KUBAOQBRCXDAHO-FYZZASKESA-N

(Q105146041)

methyl 2-[(2'R,4aS,8R,8aS)-2',4,4,7,8a-pentamethyl-5-oxospiro[1,2,3,4a-tetrahydronaphthalene-8,5'-oxolane]-2'-yl]acetate

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