(Q105168359)

English

[(2R,4aS,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

424.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S,4aS,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

Coumarin, 7-[(decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthyl)methoxy]-, acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

[(2R,4aR,5S,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

1 reference

1 reference

C₂₆H₃₂O₅

0 references

canonical SMILES

O=C1OC=2C=C(OCC3C(=C)CCC4C(C)(C)C(OC(=O)C)CCC34C)C=CC2C=C1

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isomeric SMILES

C=C1CC[C@@H]2C(C)(C)[C@H](OC(C)=O)CC[C@]2(C)[C@@H]1COc1ccc2ccc(=O)oc2c1

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found in taxon

Ferula assa-foetida

1 reference

stated in

Monoterpene coumarins from Ferula ferulago.

Ferula loscosii

1 reference

stated in

A new coumarin from Ferula loscosii and the correct structure of coladonin

Ferula communis

1 reference

stated in

A new coumarin from Ferula loscosii and the correct structure of coladonin

Identifiers

InChI

InChI=1S/C26H32O5/c1-16-6-10-22-25(3,4)23(30-17(2)27)12-13-26(22,5)20(16)15-29-19-9-7-18-8-11-24(28)31-21(18)14-19/h7-9,11,14,20,22-23H,1,6,10,12-13,15H2,2-5H3/t20-,22-,23-,26-/m1/s1

0 references

InChIKey

MNGYOFNIAOWXIT-HUBRGWSESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MNGYOFNIAOWXIT-HUBRGWSESA-N

1 reference

(Q105168359)

[(2R,4aS,5R,8aS)-1,1,4a-trimethyl-6-methylidene-5-[(2-oxochromen-7-yl)oxymethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate

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