(Q110185133)

English

[(3S,3aR,4S,6R,9bS)-6-hydroxy-3,6,9-trimethyl-2-oxo-3,3a,4,5,8,9b-hexahydroazuleno[4,5-b]furan-4-yl] acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

guaiane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

306.146723804 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3S,3aR,4S,6S,9bS)-4-(Acetyloxy)-3a,4,5,6,8,9b-hexahydro-6-hydroxy-3,6,9-trimethylazuleno[4,5-b]furan-2(3H)-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₂O₅

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canonical SMILES

O=C(OC1CC(O)(C2=CCC(=C2C3OC(=O)C(C)C31)C)C)C

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isomeric SMILES

CC(=O)O[C@H]1C[C@@](C)(O)C2=CCC(C)=C2[C@H]2OC(=O)[C@@H](C)[C@H]12

0 references

Achillea collina

2 references

Qualitative and quantitative determination of sesquiterpenoids in Achillea species by reversed-phase high-performance liquid chromatography, mass-spectrometry and thin-layer chromatography

Isolation and Structure Elucidation of the Main Proazulenes of the CultivarAchillea collina“Proa”

Achillea aspleniifolia

1 reference

Proazulenes from Achillea asplenifolia

Achillea millefolium

1 reference

Proazulenes from Achillea asplenifolia

Identifiers

InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3/t9-,12-,14+,15+,17+/m0/s1

0 references

ZPTLTKQKVWFFNY-SZQAVTOOSA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

ZPTLTKQKVWFFNY-SZQAVTOOSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C17H22O5/c1-8-5-6-11-13(8)15-14(9(2)16(19)22-15)12(21-10(3)18)7-17(11,4)20/h6,9,12,14-15,20H,5,7H2,1-4H3/t9-,12-,14+,15+,17+/m0/s1

UniChem compound ID

1 reference

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