(Q105111797)

English

[(3S,3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-3,6-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[10-(hydroxymethyl)-3,6-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] 3,4-dihydroxy-2-methylidenebutanoate

1 reference

based on heuristic

inferred from SMILES

11beta13-Dihydrocnicin

1 reference

based on heuristic

inferred from SMILES

mass

380.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(3S,3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-3,6-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (3S)-3,4-dihydroxy-2-methylidenebutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₇

0 references

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@@H](C)[C@H]12)[C@@H](O)CO

0 references

found in taxon

Centaurea pullata

1 reference

stated in

Minor sesquiterpene lactones from Centaurea pullata and their antimicrobial activity.

Identifiers

InChI

InChI=1S/C20H28O7/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/h5,8,13,15-18,21-23H,2,4,6-7,9-10H2,1,3H3/b11-5+,14-8-/t13-,15-,16-,17+,18+/m0/s1

0 references

InChIKey

IEIQVTKGRCQFFO-LUPIITQXSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IEIQVTKGRCQFFO-LUPIITQXSA-N

(Q105111797)

[(3S,3aR,4S,6E,10Z,11aR)-10-(hydroxymethyl)-3,6-dimethyl-2-oxo-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-4-yl] (3R)-3,4-dihydroxy-2-methylidenebutanoate

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Identifiers

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