(Q104914212)

English

[(1S,4aS,5'S,8aS)-5'-(2-methoxy-2-oxoethyl)-5,5,5',8a-tetramethylspiro[4a,6,7,8-tetrahydro-4H-naphthalene-1,2'-oxolane]-2-yl]methyl 3-methylbutanoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5'-(2-methoxy-2-oxoethyl)-5,5,5',8a-tetramethylspiro[4a,6,7,8-tetrahydro-4H-naphthalene-1,2'-oxolane]-2-yl]methyl 3-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

434.303224444 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,4aS,5'R,8aS)-5'-(2-methoxy-2-oxoethyl)-5,5,5',8a-tetramethylspiro[4a,6,7,8-tetrahydro-4H-naphthalene-1,2'-oxolane]-2-yl]methyl 3-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₂O₅

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canonical SMILES

O=C(OC)CC1(OC2(C(=CCC3C(C)(C)CCCC32C)COC(=O)CC(C)C)CC1)C

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isomeric SMILES

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

0 references

1 reference

1 reference

Identifiers

InChI

InChI=1S/C26H42O5/c1-18(2)15-21(27)30-17-19-9-10-20-23(3,4)11-8-12-25(20,6)26(19)14-13-24(5,31-26)16-22(28)29-7/h9,18,20H,8,10-17H2,1-7H3/t20-,24-,25-,26+/m0/s1

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InChIKey

ALMXGEAICAOSNG-PCWWUVHHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ALMXGEAICAOSNG-PCWWUVHHSA-N

(Q104914212)

[(1S,4aS,5'S,8aS)-5'-(2-methoxy-2-oxoethyl)-5,5,5',8a-tetramethylspiro[4a,6,7,8-tetrahydro-4H-naphthalene-1,2'-oxolane]-2-yl]methyl 3-methylbutanoate

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