(Q105186037)

English

(3aR,6abeta,9abeta,9balpha)-Decahydro-3,6-bismethylene-8alpha,9beta-dihydroxy-9-(chloromethyl)-4beta-[[(R)-3-chloro-2-hydroxy-2-methylpropanoyl]oxy]azuleno[4,5-b]furan-2(3H)-one

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

1 reference

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

1 reference

based on heuristic

inferred from SMILES

[(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

1 reference

based on heuristic

inferred from SMILES

mass

434.089908468 dalton

1 reference

2 references

inferred from InChIKey

1 reference

[(3aR,4S,6aR,8R,9S,9aS,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] (2R)-3-chloro-2-hydroxy-2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

[(3aR,4S,6aR,8R,9S,9aS,9bR)-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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₉H₂₄Cl₂O₇

0 references

canonical SMILES

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

0 references

isomeric SMILES

C=C1C[C@H](OC(=O)[C@@](C)(O)CCl)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl

0 references

found in taxon

Centaurea scoparia

1 reference

stated in

Guaianolides from Centaurea scoparia

Klasea centauroides

2 references

stated in

Sesquiterpenes and Flavonoids fromSerratula Strangulata

stated in

Glyceroglycolipids from Serratula strangulata

Chartolepis glastifolia

1 reference

stated in

Guaianolides from Centaurea glastifolia

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

0 references

InChIKey

NUVAJKJDTZTFLK-BQPPTCRNSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105186037)

(3aR,6abeta,9abeta,9balpha)-Decahydro-3,6-bismethylene-8alpha,9beta-dihydroxy-9-(chloromethyl)-4beta-[[(R)-3-chloro-2-hydroxy-2-methylpropanoyl]oxy]azuleno[4,5-b]furan-2(3H)-one

Statements

Identifiers

Sitelinks

Wikipedia(0 entries)

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)