(Q104909123)

English

(4aS,8aR,9aS)-3,4a-dimethyl-5-methylidene-4,6,7,8a,9,9a-hexahydrobenzo[f][1]benzofuran-2,8-dione

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

eremophilane sesquiterpenoid

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mass

246.125594436 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₈O₃

0 references

canonical SMILES

O=C1OC2C(=C1C)CC3(C(=C)CCC(=O)C3C2)C

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isomeric SMILES

C=C1CCC(=O)[C@@H]2C[C@@H]3OC(=O)C(C)=C3C[C@]12C

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found in taxon

Smyrnium connatum

1 reference

stated in

Istanbulin C, a novel sesquiterpene lactone from Smyrnium connatum

Smyrnium creticum

1 reference

stated in

Istanbulin C, a novel sesquiterpene lactone from Smyrnium connatum

Identifiers

InChI

InChI=1S/C15H18O3/c1-8-4-5-12(16)11-6-13-10(7-15(8,11)3)9(2)14(17)18-13/h11,13H,1,4-7H2,2-3H3/t11-,13-,15+/m0/s1

0 references

InChIKey

ACJFMILVVPRTRP-CORIIIEPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ACJFMILVVPRTRP-CORIIIEPSA-N

(Q104909123)

(4aS,8aR,9aS)-3,4a-dimethyl-5-methylidene-4,6,7,8a,9,9a-hexahydrobenzo[f][1]benzofuran-2,8-dione

Statements

Identifiers

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