(Q105226583)

English

[(1'S,2'R,3R,3aR,4S,5'S,9'S,9aS,9bR,10'S,11'S)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate

chemical compound

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instance of

type of chemical entity

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subclass of

[(2'S,3S,3aR,5'R,9'S,9aS,9bR,10'S)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

(1'S,2'R,3R,3aR,4S,5'R,9'S,9aR,9bR,11'S)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxo-4,5,9a,9b-tetrahydro-3aH-8'-oxaspiro[azuleno[4,5-b]furan-3,12'-tetracyclo[9.2.2.0¹,¹⁰.0⁵,⁹]pentadecan]-14'-en-4-yl acetate

1 reference

based on heuristic

inferred from SMILES

(2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl) acetate

1 reference

based on heuristic

inferred from SMILES

[(2'S,3aR,5'R,9'S,9aS,9bR,10'S)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate

1 reference

based on heuristic

inferred from SMILES

mass

548.241018112 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1'R,2'R,3R,3aR,4S,5'S,9'S,9aS,9bS,10'S,11'R)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate

2 references

based on heuristic

inferred from InChIKey

1 reference

inferred from InChIKey

QRRHSLGZWSABSR-HDRJCSDFSA-N

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₃₆O₈

0 references

canonical SMILES

O=C1OC2C(C1=C)CCC(O)(C)C34C=CC(C)(C23)C5(C(=O)OC6C7C(C(=O)C=C7C)=C(C)CC(OC(=O)C)C65)C4

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@@]13C=C[C@@](C)([C@H]21)[C@]1(C3)C(=O)O[C@@H]2[C@H]3C(C)=CC(=O)C3=C(C)C[C@H](OC(C)=O)[C@H]21

0 references

found in taxon

Artemisia sylvatica

1 reference

stated in

Sesquiterpene Lactones, Inhibitors of Farnesyl Protein Transferase, Isolated from the Flower of Artemisia sylvatica

Identifiers

InChI

InChI=1S/C32H36O8/c1-14-11-19(34)21-15(2)12-20(38-17(4)33)23-25(22(14)21)40-28(36)32(23)13-31-10-9-29(32,5)26(31)24-18(7-8-30(31,6)37)16(3)27(35)39-24/h9-11,18,20,22-26,37H,3,7-8,12-13H2,1-2,4-6H3/t18-,20-,22-,23+,24-,25+,26-,29-,30+,31+,32-/m0/s1

0 references

InChIKey

QRRHSLGZWSABSR-XTIPOATKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QRRHSLGZWSABSR-XTIPOATKSA-N

(Q105226583)

[(1'S,2'R,3R,3aR,4S,5'S,9'S,9aS,9bR,10'S,11'S)-2'-hydroxy-2',6,9,11'-tetramethyl-6'-methylidene-2,7,7'-trioxospiro[4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3,15'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-4-yl] acetate

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Identifiers

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