(Q105004945)

English

(3S,3abeta,6abeta,9abeta,9balpha)-3beta,9beta-Dimethyl-5beta,8alpha-dihydroxy-6-methylenedecahydroazuleno[4,5-b]furan-2(3H)-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

guaiane sesquiterpenoid

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mass

266.151809184 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChIKey

(3S,3abeta,6abeta,9abeta,9balpha)-3beta,9alpha-Dimethyl-5beta,8alpha-dihydroxy-6-methylenedecahydroazuleno[4,5-b]furan-2(3H)-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(3S,3aS,5S,6aR,8S,9S,9aR,9bS)-5,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₄

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canonical SMILES

O=C1OC2C(CC(O)C(=C)C3CC(O)C(C)C23)C1C

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isomeric SMILES

C=C1[C@H](O)C[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2[C@H](C)[C@@H](O)C[C@@H]12

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found in taxon

Crepis foetida

1 reference

stated in

Sesquiterpene lactone glycosides from Crepis pyrenaica

lettuce

1 reference

stated in

Isolation and characterisation of the sesquiterpene lactones from Lactuca sativa L var. anagustata

Identifiers

InChI

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

0 references

InChIKey

FZHVZHPJLXWJIZ-FXBRUWNDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FZHVZHPJLXWJIZ-FXBRUWNDSA-N

1 reference

(Q105004945)

(3S,3abeta,6abeta,9abeta,9balpha)-3beta,9beta-Dimethyl-5beta,8alpha-dihydroxy-6-methylenedecahydroazuleno[4,5-b]furan-2(3H)-one

Statements

Identifiers

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