(Q105205192)

English

[(1S,2Z,4R,8R,9R,11S,12S)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2R)-2-methylbutanoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

1 reference

[1,12-Dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

mass

396.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,2E,4S,8R,9R,11R,12S)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2S)-2-methylbutanoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,2Z,4S,8R,9R,11S,12R)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2R)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₈

0 references

canonical SMILES

O=C1OC2C=C(CO)C3(O)OC(C)(CC(OC(=O)C(C)CC)C2C1=C)C(O)C3

0 references

isomeric SMILES

C=C1C(=O)O[C@@H]2/C=C(/CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3

0 references

found in taxon

Bahiopsis deltoidea

1 reference

stated in

Cycloartanone derivatives from Viguiera dentata

Aldama helianthoides

1 reference

stated in

Further sesquiterpene lactones from Calea and Viguiera species

Identifiers

InChI

InChI=1S/C20H28O8/c1-5-10(2)17(23)27-14-7-19(4)15(22)8-20(25,28-19)12(9-21)6-13-16(14)11(3)18(24)26-13/h6,10,13-16,21-22,25H,3,5,7-9H2,1-2,4H3/b12-6-/t10-,13-,14-,15+,16+,19+,20+/m1/s1

0 references

InChIKey

PBHKMDBIOFKKFO-IEXVORCVSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

PBHKMDBIOFKKFO-IEXVORCVSA-N

(Q105205192)

[(1S,2Z,4R,8R,9R,11S,12S)-1,12-dihydroxy-2-(hydroxymethyl)-11-methyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradec-2-en-9-yl] (2R)-2-methylbutanoate

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)