(Q105149482)

English

methyl 2-[(1S,2'R,3R,3aR,7aR)-2',3a,7,7-tetramethyl-1-(2-oxopropyl)spiro[4,5,6,7a-tetrahydro-1H-2-benzofuran-3,5'-oxolane]-2'-yl]acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 2-[4,4,5',7a-tetramethyl-3-(2-oxopropyl)-tetrahydro-3H-spiro[2-benzofuran-1,2'-oxolan]-5'-yl]acetate

1 reference

based on heuristic

inferred from SMILES

mass

366.240624188 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl 2-[(1R,2'R,3S,3aS,7aS)-2',3a,7,7-tetramethyl-1-(2-oxopropyl)spiro[4,5,6,7a-tetrahydro-1H-2-benzofuran-3,5'-oxolane]-2'-yl]acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₄O₅

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canonical SMILES

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

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isomeric SMILES

COC(=O)C[C@@]1(C)CC[C@@]2(O[C@@H](CC(C)=O)[C@@H]3C(C)(C)CCC[C@]32C)O1

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found in taxon

Grindelia camporum

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stated in

Two grindelane diterpenoids from Grindelia camporum

Grindelia hirsutula

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stated in

Two grindelane diterpenoids from Grindelia camporum

Identifiers

InChI

InChI=1S/C21H34O5/c1-14(22)12-15-17-18(2,3)8-7-9-20(17,5)21(25-15)11-10-19(4,26-21)13-16(23)24-6/h15,17H,7-13H2,1-6H3/t15-,17+,19+,20+,21+/m0/s1

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InChIKey

LBNHFUDEOMZNBR-NQMYEVRTSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LBNHFUDEOMZNBR-NQMYEVRTSA-N

(Q105149482)

methyl 2-[(1S,2'R,3R,3aR,7aR)-2',3a,7,7-tetramethyl-1-(2-oxopropyl)spiro[4,5,6,7a-tetrahydro-1H-2-benzofuran-3,5'-oxolane]-2'-yl]acetate

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