(Q105352609)

English

(3aS)-2,3,3a,4,5,6,6abeta,7,9abeta,9balpha-Decahydro-4beta-(isobutyryloxy)-5beta-acetoxy-6beta-hydroxy-6,9-dimethyl-7beta-hydroperoxy-3-methyleneazuleno[4,5-b]furan-2-one

chemical compound

In more languages

edit

Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

0 references

mass

424.173332476 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₁H₂₈O₉

0 references

canonical SMILES

O=C1OC2C(C1=C)C(OC(=O)C(C)C)C(OC(=O)C)C(O)(C)C3C(OO)C=C(C)C23

0 references

isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1[C@@H](OO)C=C(C)[C@@H]12

0 references

found in taxon

Anthemis carpatica

2 references

stated in

Highly Oxygenated Guaianolides fromAnthemis carpatica

stated in

Further sesquiterpene lactones from Anthemis carpatica

Anthemis cretica

2 references

stated in

Highly Oxygenated Guaianolides fromAnthemis carpatica

stated in

Further sesquiterpene lactones from Anthemis carpatica

Identifiers

InChI

InChI=1S/C21H28O9/c1-8(2)19(23)29-17-14-10(4)20(24)28-16(14)13-9(3)7-12(30-26)15(13)21(6,25)18(17)27-11(5)22/h7-8,12-18,25-26H,4H2,1-3,5-6H3/t12-,13-,14-,15+,16+,17+,18+,21-/m0/s1

0 references

InChIKey

YQVFFAZLLFZLMF-HLKRSRKKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YQVFFAZLLFZLMF-HLKRSRKKSA-N

1 reference

(Q105352609)

(3aS)-2,3,3a,4,5,6,6abeta,7,9abeta,9balpha-Decahydro-4beta-(isobutyryloxy)-5beta-acetoxy-6beta-hydroxy-6,9-dimethyl-7beta-hydroperoxy-3-methyleneazuleno[4,5-b]furan-2-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)