(Q105247146)

English

methyl (6aR,7S,8R,10aS)-7-[2-(furan-3-yl)-2-oxoethyl]-7-methyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-8-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 7-[2-(furan-3-yl)-2-oxoethyl]-7-methyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-8-carboxylate

1 reference

1 reference

372.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (6aR,7R,8R,10aS)-7-[2-(furan-3-yl)-2-oxoethyl]-7-methyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-8-carboxylate

1 reference

based on heuristic

inferred from InChI

methyl (6aS,7S,8S,10aR)-7-[2-(furan-3-yl)-2-oxoethyl]-7-methyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-8-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₄O₆

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canonical SMILES

O=C1OCC23C1=CCCC2C(C)(CC(=O)C4=COC=C4)C(C(=O)OC)CC3

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isomeric SMILES

COC(=O)[C@@H]1CC[C@@]23COC(=O)C2=CCC[C@@H]3[C@]1(C)CC(=O)c1ccoc1

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found in taxon

Barringtonia racemosa

1 reference

stated in

Nasimaluns A and B: neo-clerodane diterpenoids from barringtonia racemosa

Identifiers

InChI

InChI=1S/C21H24O6/c1-20(10-16(22)13-7-9-26-11-13)14(18(23)25-2)6-8-21-12-27-19(24)15(21)4-3-5-17(20)21/h4,7,9,11,14,17H,3,5-6,8,10,12H2,1-2H3/t14-,17+,20+,21+/m0/s1

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InChIKey

RXMKNHZLQNBAPQ-VBYRIGCOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RXMKNHZLQNBAPQ-VBYRIGCOSA-N

(Q105247146)

methyl (6aR,7S,8R,10aS)-7-[2-(furan-3-yl)-2-oxoethyl]-7-methyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-8-carboxylate

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