(Q104944096)

English

(3aalpha,7aalpha,9abeta)-3-Methylene-4abeta,8beta-dimethyl-5beta,7alpha-dihydroxydodecahydroazuleno[6,5-b]furan-2-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

Azuleno(6,5-b)furan-2(3H)-one, decahydro-5,7-dihydroxy-4a,8-dimethyl-3-methylene-, (3aR,4aS,5R,7S,7aS,8R,9aS)-

1 reference

based on heuristic

inferred from SMILES

(3aR,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

266.151809184 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

(3aR,5R,5aS,6S,8S,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3aS,5R,5aS,6S,8S,8aS,9aR)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

1 reference

1 reference

(3aR,5S,5aR,6S,8R,8aS,9aS)-6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₄

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canonical SMILES

O=C1OC2CC(C)C3C(O)CC(O)C3(C)CC2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2C[C@H](C)[C@@H]3[C@@H](O)C[C@H](O)[C@@]3(C)C[C@H]12

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found in taxon

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

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

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/C15H22O4/c1-7-4-11-9(8(2)14(18)19-11)6-15(3)12(17)5-10(16)13(7)15/h7,9-13,16-17H,2,4-6H2,1,3H3/t7-,9+,10-,11-,12-,13+,15+/m0/s1

0 references

InChIKey

BPUNWVGCTMEMKQ-UOIIZJLGSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

BPUNWVGCTMEMKQ-UOIIZJLGSA-N

1 reference

(Q104944096)

(3aalpha,7aalpha,9abeta)-3-Methylene-4abeta,8beta-dimethyl-5beta,7alpha-dihydroxydodecahydroazuleno[6,5-b]furan-2-one

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Identifiers

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