(Q105325503)

English

[(2S,4aR,6R,7R,8aS)-6-acetyloxy-8a-hydroperoxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-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

[6-acetyloxy-8a-hydroperoxy-7-(3-methoxy-3-oxoprop-1-en-2-yl)-4a-methyl-1-methylidene-3,4,5,6,7,8-hexahydro-2H-naphthalen-2-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from SMILES

mass

424.209717984 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₈

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canonical SMILES

O=C(OC)C(=C)C1CC2(OO)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]1C[C@@]2(OO)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/C22H32O8/c1-12(2)19(24)29-17-8-9-21(6)11-18(28-15(5)23)16(13(3)20(25)27-7)10-22(21,30-26)14(17)4/h12,16-18,26H,3-4,8-11H2,1-2,5-7H3/t16-,17+,18-,21-,22-/m1/s1

0 references

InChIKey

XCXSKXOQGGFKAL-PEWUMXJESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XCXSKXOQGGFKAL-PEWUMXJESA-N

(Q105325503)

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

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Identifiers

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