(Q105246895)

English

[(3aS,4S,7S,9E,11R,11aR)-4-acetyloxy-7-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-11-yl] (Z)-2-methylbut-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

(4-acetyloxy-7-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-11-yl) 2-methylbut-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

404.183503236 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₂₈O₇

0 references

canonical SMILES

O=C(OC1C(=CCC(O)C(=C)CC(OC(=O)C)C2C(=C)C(=O)OC12)C)C(=CC)C

0 references

isomeric SMILES

C=C1C[C@H](OC(C)=O)[C@@H]2C(=C)C(=O)O[C@H]2[C@H](OC(=O)/C(C)=C\C)/C(C)=C/C[C@@H]1O

0 references

found in taxon

Calea jamaicensis

2 references

stated in

Jamaicolides A-D, four sesquiterpene lactones from Calea jamaicensis

stated in

Jamaicolides A-D, four sesquiterpene lactones from Calea jamaicensis

Identifiers

InChI

InChI=1S/C22H28O7/c1-7-11(2)21(25)28-19-12(3)8-9-16(24)13(4)10-17(27-15(6)23)18-14(5)22(26)29-20(18)19/h7-8,16-20,24H,4-5,9-10H2,1-3,6H3/b11-7-,12-8+/t16-,17-,18-,19+,20+/m0/s1

0 references

InChIKey

RXBFCNRZMOYQNU-PNTLCZBCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RXBFCNRZMOYQNU-PNTLCZBCSA-N

(Q105246895)

[(3aS,4S,7S,9E,11R,11aR)-4-acetyloxy-7-hydroxy-10-methyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,11a-hexahydro-3aH-cyclodeca[b]furan-11-yl] (Z)-2-methylbut-2-enoate

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