(Q105270039)

English

[(E)-2-[[(3aS,4R,6R,6aS,7R,9aR,9bR)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

2-[[6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl]oxycarbonyl]but-2-enyl 2-(hydroxymethyl)but-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

510.165660252 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₅H₃₁ClO₉

0 references

canonical SMILES

O=C(OCC(=CC)C(=O)OC1CC(O)(CCl)C2C(O)C=C(C)C2C3OC(=O)C(=C)C13)C(=CC)CO

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(=C/C)COC(=O)/C(=C/C)CO)C[C@](O)(CCl)[C@@H]1[C@H](O)C=C(C)[C@@H]12

0 references

found in taxon

Liatris squarrosa

1 reference

stated in

Guaianolides from Liatris squarrosa

Identifiers

InChI

InChI=1S/C25H31ClO9/c1-5-14(9-27)23(30)33-10-15(6-2)24(31)34-17-8-25(32,11-26)20-16(28)7-12(3)18(20)21-19(17)13(4)22(29)35-21/h5-7,16-21,27-28,32H,4,8-11H2,1-3H3/b14-5+,15-6+/t16-,17-,18+,19+,20-,21-,25+/m1/s1

0 references

InChIKey

UCOXSTWYIFOHPS-RQSUKARUSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

UCOXSTWYIFOHPS-RQSUKARUSA-N

(Q105270039)

[(E)-2-[[(3aS,4R,6R,6aS,7R,9aR,9bR)-6-(chloromethyl)-6,7-dihydroxy-9-methyl-3-methylidene-2-oxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl]oxycarbonyl]but-2-enyl] (E)-2-(hydroxymethyl)but-2-enoate

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)