(Q105375016)

English

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

chemical compound

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Statements

type of chemical entity

0 references

methyl 2-[2-(hydroxymethyl)-5,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4H-spiro[naphthalene-1,2'-oxolan]-5'-yl]acetate

1 reference

based on heuristic

inferred from SMILES

350.245709568 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl 2-[(1R,4aR,5'R,8aR)-2-(hydroxymethyl)-5,5,5',8a-tetramethyl-4a,6,7,8-tetrahydro-4H-spiro[naphthalene-1,2'-oxolan]-5'-yl]acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₄

0 references

canonical SMILES

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

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isomeric SMILES

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

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Grindelia squarrosa

1 reference

Grindelane diterpenoids from grindelia squarrosa and G. Camporum

Identifiers

InChI=1S/C21H34O4/c1-18(2)9-6-10-20(4)16(18)8-7-15(14-22)21(20)12-11-19(3,25-21)13-17(23)24-5/h7,16,22H,6,8-14H2,1-5H3/t16-,19+,20-,21+/m0/s1

0 references

ZGAUBBFDXXEMAC-NASSWSRMSA-N

0 references

1 reference

17 September 2022

based on heuristic

inferred from InChIKey

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