(Q104252621)

English

[(4S,8R,9S,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2S)-3-chloro-2-hydroxy-2-methylpropanoate

group of stereoisomers with the chemical formula C₁₉H₂₄Cl₂O₇

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Statements

instance of

group of stereoisomers

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subclass of

guaiane sesquiterpenoid

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inferred from

guaiane sesquiterpenoid

mass

434.089908468 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₉H₂₄Cl₂O₇

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canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(O)(C)CCl)CC(=C)C3CC(O)C(O)(CCl)C23

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isomeric SMILES

C=C1C[C@H](OC(=O)[C@](C)(O)CCl)C2C(=C)C(=O)O[C@@H]2C2C1C[C@@H](O)[C@]2(O)CCl

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found in taxon

Centaurea pterocaula

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Psephellus carthalinicus

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stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Psephellus colchicus

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Centaurea dealbata

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Psephellus daghestanicus

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Psephellus karabaghensis

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Psephellus nogmovii

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Psephellus somcheticus

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Psephellus zangezuri

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Centaurea aegyptiaca

1 reference

stated in

New Guaianolides fromCentaurea aegyptica

Rhaponticum coniferum

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stated in

Sesquiterpene lactones from Centaurea alba and C. conifera

Centaurea imperialis

1 reference

stated in

Guaianolides from Centaurea canariensis

Rhaponticum repens

1 reference

stated in

Centaurepensin: A Cytotoxic Constituent of Centaurea solstitialis and C. repens (Asteraceae)

Centaurea sinaica

1 reference

stated in

Guaianolides from Centaurea sinaica

Centaurea solstitialis

3 references

stated in

Sesquiterpene lactones from Centaurea solstitialis

stated in

Centaurepensin: A Cytotoxic Constituent of Centaurea solstitialis and C. repens (Asteraceae)

stated in

Bisabolone derivatives and sesquiterpene lactones from centaurea species

Saussurea candicans

1 reference

stated in

Guaianolides from Saussurea candicans

Leuzea conifera

1 reference

stated in

Sesquiterpene lactones from Centaurea alba and C. conifera

Chartolepis glastifolia

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Acroptilon repens

1 reference

stated in

Centaurepensin: A Cytotoxic Constituent of Centaurea solstitialis and C. repens (Asteraceae)

Psephellus dealbatus

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Psephellus adjaricus

2 references

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

stated in

Sesquiterpene lactones. XXXVI. Sesquiterpene lactones in several subgenera of the genus Centaurea L.

Psephellus simplicicaulis

3 references

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

stated in

Chromatography of twentysix sesquiterpene lactones fromCentaurea bella

stated in

Isolation and chromatography of 15-deoxyrepin and 25 other sesquiterpene lactones from Centaurea bella Trautv

Psephellus bellus

3 references

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

stated in

Chromatography of twentysix sesquiterpene lactones fromCentaurea bella

stated in

Isolation and chromatography of 15-deoxyrepin and 25 other sesquiterpene lactones from Centaurea bella Trautv

Centaurea gabrieljanae

1 reference

stated in

A chemotaxonomic study of sesquiterpene lactones from subtribe centaureinae of the compositae

Identifiers

InChI

InChI=1S/C19H24Cl2O7/c1-8-4-11(27-17(24)18(3,25)6-20)13-9(2)16(23)28-15(13)14-10(8)5-12(22)19(14,26)7-21/h10-15,22,25-26H,1-2,4-7H2,3H3/t10?,11-,12+,13?,14?,15-,18+,19+/m0/s1

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InChIKey

NUVAJKJDTZTFLK-NDRINEROSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

NUVAJKJDTZTFLK-NDRINEROSA-N

1 reference

(Q104252621)

[(4S,8R,9S,9bS)-9-(chloromethyl)-8,9-dihydroxy-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl] (2S)-3-chloro-2-hydroxy-2-methylpropanoate

Statements

Identifiers

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