(Q105022459)

English

[(3aR,4R,5aR,6R,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl) 4-hydroxy-2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₆O₇

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CCO)CO)CC3(C)C(O)CC=C(C)C23

0 references

isomeric SMILES

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

0 references

found in taxon

Stevia alpina

1 reference

stated in

Sesquiterpene lactones from Stevia alpina var. glutinosa

Identifiers

InChI

InChI=1S/C20H26O7/c1-10-4-5-14(23)20(3)8-13(26-19(25)12(9-22)6-7-21)15-11(2)18(24)27-17(15)16(10)20/h4,6,13-17,21-23H,2,5,7-9H2,1,3H3/b12-6+/t13-,14-,15-,16+,17+,20+/m1/s1

0 references

InChIKey

GWJXGILYDSNHLU-GEHHXAHPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GWJXGILYDSNHLU-GEHHXAHPSA-N

(Q105022459)

[(3aR,4R,5aR,6R,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-2-oxo-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate

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Identifiers

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