(Q105026695)

English

[(3aS,4S,6aS,9aR,9bS)-6a-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

376.152203108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₇

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CCO)CO)C=C(C)C3(O)CC=C(C)C23

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)/C(=C/CO)CO)C=C(C)[C@]1(O)CC=C(C)[C@H]21

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found in taxon

Eupatorium chinense

1 reference

stated in

Seven guaianolides from Eupatorium chinense

Identifiers

InChI

InChI=1S/C20H24O7/c1-10-4-6-20(25)11(2)8-14(26-19(24)13(9-22)5-7-21)15-12(3)18(23)27-17(15)16(10)20/h4-5,8,14-17,21-22,25H,3,6-7,9H2,1-2H3/b13-5+/t14-,15-,16+,17-,20+/m0/s1

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InChIKey

HEAIOJBLGNUAOY-AHOQVRAMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

HEAIOJBLGNUAOY-AHOQVRAMSA-N

(Q105026695)

[(3aS,4S,6aS,9aR,9bS)-6a-hydroxy-6,9-dimethyl-3-methylidene-2-oxo-4,7,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

Statements

Identifiers

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