(Q105382867)

English

[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3S)-3,4-dihydroxy-2-methylidenebutanoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

1 reference

(3aR,4S,10Z,11aR)-10-(Hydroxymethyl)-6-methyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutanoate

1 reference

based on heuristic

inferred from SMILES

mass

378.167853172 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(3aR,4S,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3S)-3,4-dihydroxy-2-methylidenebutanoate

1 reference

1 reference

[(3aR,4S,6E,10Z,11aS)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3S)-3,4-dihydroxy-2-methylidenebutanoate

1 reference

based on heuristic

inferred from InChI

[(3aR,4S,6Z,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3S)-3,4-dihydroxy-2-methylidenebutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₆O₇

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canonical SMILES

O=C(OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)CO)C)C(=C)C(O)CO

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isomeric SMILES

C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO

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found in taxon

Centaurea aspera

1 reference

stated in

Sesquiterpenes from Centaurea aspera

Centaurea attica

1 reference

stated in

Sesquiterpene lactones from Centaurea thessala and Centaurea attica. Antifungal activity.

Centaurea cineraria

1 reference

stated in

Sesquiterpene lactones and flavones from Centaurea cineraria subsp. Umbrosa

Centaurea derventana

1 reference

stated in

Sesquiterpene Lactones fromCentaureaSpecies:C. derventanaandC. kosaninii

Centaurea affinis

2 references

stated in

AN ANTIBACTERIAL PRINCIPLE FROM CENTAUREA MACULOSA

stated in

On terpenes. CXXXVI. Identity of the bitter principle from Centaurea stoebe (L.) SCH. et THELL. with cnicin

Centaurea maculosa

2 references

stated in

AN ANTIBACTERIAL PRINCIPLE FROM CENTAUREA MACULOSA

stated in

On terpenes. CXXXVI. Identity of the bitter principle from Centaurea stoebe (L.) SCH. et THELL. with cnicin

Centaurea stoebe

2 references

stated in

AN ANTIBACTERIAL PRINCIPLE FROM CENTAUREA MACULOSA

stated in

On terpenes. CXXXVI. Identity of the bitter principle from Centaurea stoebe (L.) SCH. et THELL. with cnicin

Centaurea napifolia

1 reference

stated in

Sesquiterpene Lactones and Other Constituents ofCentaurea napifolia

Centaurea sphaerocephala

1 reference

stated in

Sesquiterpene lactones from Centaurea sphaerocephala ssp. sphaerocephala

1 reference

1 reference

Sesquiterpene Lactones fromCentaureaSpecies:C. derventanaandC. kosaninii

Centaurea australis

2 references

stated in

On terpenes. CXXXVI. Identity of the bitter principle from Centaurea stoebe (L.) SCH. et THELL. with cnicin

stated in

AN ANTIBACTERIAL PRINCIPLE FROM CENTAUREA MACULOSA

Identifiers

InChI

InChI=1S/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3/b11-5+,14-8-/t15-,16+,17-,18-/m1/s1

0 references

InChIKey

ZTDFZLVUIVPZDU-NXZIYWCUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

1 reference

0 references

(Q105382867)

[(3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (3S)-3,4-dihydroxy-2-methylidenebutanoate

Statements

Identifiers

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