(Q105259504)

English

(3S,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-3,4-diyl (2E,2'E)bis(2-methylbut-2-enoate)

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

guaiane sesquiterpenoid

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mass

442.1991533 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₇

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canonical SMILES

O=C(OC1CC(=C2C(=O)C=C(C)C2C3OC(=O)C(OC(=O)C(=CC)C)(C)C13)C)C(=CC)C

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isomeric SMILES

C/C=C(\C)C(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@](C)(OC(=O)/C(C)=C/C)[C@H]12

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found in taxon

Ferula olgae

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stated in

Sesquiterpene lactones ofFerula olgae

Ferula penninervis

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stated in

Sesquiterpene lactones ofFerula olgae

Ferula transiliensis

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stated in

Sesquiterpene lactones from Talassia transiliensis

Identifiers

InChI

InChI=1S/C25H30O7/c1-8-12(3)22(27)30-17-11-15(6)18-16(26)10-14(5)19(18)21-20(17)25(7,24(29)31-21)32-23(28)13(4)9-2/h8-10,17,19-21H,11H2,1-7H3/b12-8+,13-9+/t17-,19-,20+,21+,25-/m0/s1

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InChIKey

SRYAYZOSNMNVNQ-DBJMCHPQSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SRYAYZOSNMNVNQ-DBJMCHPQSA-N

1 reference

(Q105259504)

(3S,3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-3,4-diyl (2E,2'E)bis(2-methylbut-2-enoate)

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Identifiers

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