(Q104919134)

English

[(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 2-methylpropanoate

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-tetramethyl-4a,6,7,8-tetrahydro-4H-spiro[naphthalene-1,2'-oxolan]-2-ylmethyl 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

420.28757438 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₄₀O₅

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canonical SMILES

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

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isomeric SMILES

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

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found in taxon

Grindelia squarrosa

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stated in

Grindelane diterpenoids from grindelia squarrosa and G. Camporum

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Identifiers

InChI

InChI=1S/C25H40O5/c1-17(2)21(27)29-16-18-9-10-19-22(3,4)11-8-12-24(19,6)25(18)14-13-23(5,30-25)15-20(26)28-7/h9,17,19H,8,10-16H2,1-7H3/t19-,23+,24-,25+/m0/s1

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InChIKey

AUTYPXDJUSQKDU-ZZQRAECTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AUTYPXDJUSQKDU-ZZQRAECTSA-N

(Q104919134)

[(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 2-methylpropanoate

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