(Q105331756)

English

2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aR,9aR,9bR)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-9-methyl-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (2E)-

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(9-methyl-3,6-dimethylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl) 4-hydroxy-2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

360.157288488 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₄O₆

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(=CCO)CO)CC(=C)C3CC=C(C)C23

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isomeric SMILES

C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=CC[C@@H]12

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found in taxon

Eupatorium chinense

1 reference

stated in

Seven guaianolides from Eupatorium chinense

Stevia myriadenia

1 reference

stated in

Sesquiterpenes, guaianolides and diterpenes from Stevia myriadenia

Stevia chamaedrys

1 reference

stated in

Guaianolides and other constituents from Stevia species

Stevia mercedensis

1 reference

stated in

Neue Sesquiterpenlactone und andere Inhaltsstoffe ausStevia mercedensis undStevia achalensis

Stevia satureifolia

1 reference

stated in

Flavonoids and eupahakonenin B from Stevia satureiaefolia

Identifiers

InChI

InChI=1S/C20H24O6/c1-10-4-5-14-11(2)8-15(25-20(24)13(9-22)6-7-21)17-12(3)19(23)26-18(17)16(10)14/h4,6,14-18,21-22H,2-3,5,7-9H2,1H3/b13-6+/t14-,15+,16-,17+,18+/m0/s1

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InChIKey

XNLIVSBSMQWLHV-UFDKSFOLSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNLIVSBSMQWLHV-UFDKSFOLSA-N

1 reference

(Q105331756)

2-Butenoic acid, 4-hydroxy-2-(hydroxymethyl)-, (3aR,4R,6aR,9aR,9bR)-2,3,3a,4,5,6,6a,7,9a,9b-decahydro-9-methyl-3,6-bis(methylene)-2-oxoazuleno(4,5-b)furan-4-yl ester, (2E)-

Statements

Identifiers

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