(Q105032954)

English

clavulolactone III

chemical compound

In more languages

Statements

type of chemical entity

0 references

[1-Oct-2-enyl-4-oxo-5-[3-(5-oxooxolan-2-yl)prop-2-enylidene]cyclopent-2-en-1-yl] acetate

1 reference

based on heuristic

inferred from SMILES

372.193673996 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

clavulolactone I

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

clavulolactone II

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,5E)-1-[(Z)-oct-2-enyl]-4-oxo-5-[(Z)-3-[(2S)-5-oxooxolan-2-yl]prop-2-enylidene]cyclopent-2-en-1-yl] acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₂H₂₈O₅

0 references

canonical SMILES

O=C(OC1(C=CC(=O)C1=CC=CC2OC(=O)CC2)CC=CCCCCC)C

0 references

isomeric SMILES

CCCCC/C=C\C[C@]1(OC(C)=O)C=CC(=O)/C1=C\C=C\[C@H]1CCC(=O)O1

0 references

Clavularia viridis

1 reference

Clavulolactones, New Marine Prostanoids with a γ-Lactonic Moiety in the α-Side-Chain from the Okinawan Soft Coral, Clavularia viridis

Identifiers

InChI=1S/C22H28O5/c1-3-4-5-6-7-8-15-22(27-17(2)23)16-14-20(24)19(22)11-9-10-18-12-13-21(25)26-18/h7-11,14,16,18H,3-6,12-13,15H2,1-2H3/b8-7-,10-9+,19-11+/t18-,22-/m0/s1

0 references

HSBZTFDKHKMFDC-PLWPPGCESA-N

0 references

2 references

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

HSBZTFDKHKMFDC-PLWPPGCESA-N

mapping relation type

1 reference

matched by identifier from

International Chemical Identifier

InChI=1S/C22H28O5/c1-3-4-5-6-7-8-15-22(27-17(2)23)16-14-20(24)19(22)11-9-10-18-12-13-21(25)26-18/h7-11,14,16,18H,3-6,12-13,15H2,1-2H3/b8-7-,10-9+,19-11+/t18-,22-/m0/s1

UniChem compound ID

1 reference

1 reference

HSBZTFDKHKMFDC-PLWPPGCESA-N

17 April 2021

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

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