(Q105312401)

English

[(2S,4aR,6R,7R)-6-acetyloxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] 2-methylpropanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

methyl 2-[3-(acetyloxy)-4a,8-dimethyl-7-[(2-methylpropanoyl)oxy]-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

392.219888744 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₆

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canonical SMILES

O=C(OC)C(=C)C1CC2=C(C)C(OC(=O)C(C)C)CCC2(C)CC1OC(=O)C

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isomeric SMILES

C=C(C(=O)OC)[C@H]1CC2=C(C)[C@@H](OC(=O)C(C)C)CC[C@]2(C)C[C@H]1OC(C)=O

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found in taxon

Eriocephalus pauperrimus

1 reference

stated in

Sesquiterpene lactones and other constituents from Eriocephalus species

Identifiers

InChI

InChI=1S/C22H32O6/c1-12(2)20(24)28-18-8-9-22(6)11-19(27-15(5)23)16(10-17(22)14(18)4)13(3)21(25)26-7/h12,16,18-19H,3,8-11H2,1-2,4-7H3/t16-,18+,19-,22-/m1/s1

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InChIKey

WTCVXFNFXCTKOC-ITBLURSFSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WTCVXFNFXCTKOC-ITBLURSFSA-N

(Q105312401)

[(2S,4aR,6R,7R)-6-acetyloxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-1,4a-dimethyl-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] 2-methylpropanoate

Statements

Identifiers

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