(Q105126692)

English

(1S,1'S,2'R,3aS,5S,5'S,5aS,9'S,9aR,10'S,11'S)-2'-hydroxy-2',5,8-trimethyl-6'-methylidenespiro[4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-1,14'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-2,7,7'-trione

chemical compound

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instance of

type of chemical entity

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subclass of

2'-hydroxy-2',5,8-trimethyl-6'-methylidenespiro[4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-1,14'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-2,7,7'-trione

1 reference

based on heuristic

inferred from SMILES

mass

478.235538808 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₉H₃₄O₆

0 references

canonical SMILES

O=C1OC2C(C1=C)CCC(O)(C)C34C=CC(CC53C(=O)OC6CC(C)C7C(=C(C(=O)C7)C)CC65)C24

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isomeric SMILES

C=C1C(=O)O[C@H]2[C@H]1CC[C@@](C)(O)[C@]13C=C[C@H](C[C@@]14C(=O)O[C@H]1C[C@H](C)[C@@H]5CC(=O)C(C)=C5C[C@@H]14)[C@H]23

0 references

found in taxon

Cota austriaca

1 reference

stated in

Sesquiterpene lactones as chemotaxonomic markers in genus Anthemis

Identifiers

InChI

InChI=1S/C29H34O6/c1-13-9-22-20(10-19-14(2)21(30)11-18(13)19)28(26(32)34-22)12-16-5-8-29(28)23(16)24-17(6-7-27(29,4)33)15(3)25(31)35-24/h5,8,13,16-18,20,22-24,33H,3,6-7,9-12H2,1-2,4H3/t13-,16+,17-,18-,20-,22-,23+,24-,27+,28+,29+/m0/s1

0 references

InChIKey

JFHBPWUSUGCOPS-KSVBRIKOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JFHBPWUSUGCOPS-KSVBRIKOSA-N

(Q105126692)

(1S,1'S,2'R,3aS,5S,5'S,5aS,9'S,9aR,10'S,11'S)-2'-hydroxy-2',5,8-trimethyl-6'-methylidenespiro[4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-1,14'-8-oxatetracyclo[9.2.2.01,10.05,9]pentadec-12-ene]-2,7,7'-trione

Statements

Identifiers

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