(Q104991720)

English

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

chemical compound

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instance of

type of chemical entity

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subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

484.246103492 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₈H₃₆O₇

0 references

canonical SMILES

O=C1OC=2C(OC)=C(OCC3C(=C)CCC4C(C)(C)C(OC(=O)C)CCC34C)C(OC)=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]1COc1c(OC)cc2ccc(=O)oc2c1OC

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found in taxon

Achillea pseudopectinata

1 reference

stated in

Naturally occurring sesquiterpene-coumarin ethers, VI. New sesquiterpene-isofraxidin ethers fromAchillea depressa

Achillea depressa

1 reference

stated in

Naturally occurring sesquiterpene-coumarin ethers, VI. New sesquiterpene-isofraxidin ethers fromAchillea depressa

Identifiers

InChI

InChI=1S/C28H36O7/c1-16-8-10-21-27(3,4)22(34-17(2)29)12-13-28(21,5)19(16)15-33-25-20(31-6)14-18-9-11-23(30)35-24(18)26(25)32-7/h9,11,14,19,21-22H,1,8,10,12-13,15H2,2-7H3/t19-,21-,22-,28-/m0/s1

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InChIKey

DZBRQMXDWRVJOD-NIJOCRIKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DZBRQMXDWRVJOD-NIJOCRIKSA-N

(Q104991720)

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

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