(Q105236531)

English

[(3aR,4S,7aR)-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] (3S)-3-methylpentanoate

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

[5-(5-Hydroxypentan-2-yl)-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] 3-methylpentanoate

1 reference

based on heuristic

inferred from SMILES

mass

364.224974124 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₃₂O₅

0 references

canonical SMILES

O=C1OC2CC(=C(C(OC(=O)CC(C)CC)C2C1=C)C(C)CCCO)C

0 references

isomeric SMILES

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

0 references

found in taxon

Inula britannica

1 reference

stated in

New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages

Inula japonica

1 reference

stated in

New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages

Pentanema britannicum

1 reference

stated in

New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages

Identifiers

InChI

InChI=1S/C21H32O5/c1-6-12(2)10-17(23)26-20-18(13(3)8-7-9-22)14(4)11-16-19(20)15(5)21(24)25-16/h12-13,16,19-20,22H,5-11H2,1-4H3/t12-,13-,16+,19+,20+/m0/s1

0 references

InChIKey

RHNRTKTXTFENOC-OAJHIWMTSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RHNRTKTXTFENOC-OAJHIWMTSA-N

1 reference

(Q105236531)

[(3aR,4S,7aR)-5-[(2S)-5-hydroxypentan-2-yl]-6-methyl-3-methylidene-2-oxo-3a,4,7,7a-tetrahydro-1-benzofuran-4-yl] (3S)-3-methylpentanoate

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)