(Q104949662)

English

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

chemical compound

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type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

346.178023932 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₅

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canonical SMILES

O=C1OCC(=C1)CCC2(C)C(CO)CCC34C(=CCCC32)C(=O)OC4

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isomeric SMILES

C[C@@]1(CCC2=CC(=O)OC2)[C@H](CO)CC[C@]23COC(=O)C2=CCC[C@H]13

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found in taxon

Chaiturus marrubiastrum

1 reference

stated in

Über Marrubiasid und Marrubialacton, zwei Diterpenderivate mit umgelagertem Labdangerüst ausLeonurus marrubiastrum L.

Identifiers

InChI

InChI=1S/C20H26O5/c1-19(7-5-13-9-17(22)24-11-13)14(10-21)6-8-20-12-25-18(23)15(20)3-2-4-16(19)20/h3,9,14,16,21H,2,4-8,10-12H2,1H3/t14-,16+,19+,20-/m0/s1

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InChIKey

BYOWJEZCPGSCNN-NBPAUJCUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BYOWJEZCPGSCNN-NBPAUJCUSA-N

(Q104949662)

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

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