(Q105146775)

English

(3R)-3alpha,7beta-Dimethyl-6-(3-oxobutyl)-3,3aalpha,4,7,8,8abeta-hexahydro-2H-cyclohepta[b]furan-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3,7-Dimethyl-6-(3-oxobutyl)-3,3a,4,7,8,8a-hexahydrocyclohepta[b]furan-2-one

1 reference

based on heuristic

inferred from SMILES

mass

250.156894564 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

11Alpha,13-Dihydrotomentosin

1 reference

based on heuristic

inferred from InChI

(3R)-3alpha,7beta-Dimethyl-6-(3-oxobutyl)-3,3aalpha,4,7,8,8aalpha-hexahydro-2H-cyclohepta[b]furan-2-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₅H₂₂O₃

0 references

canonical SMILES

O=C1OC2CC(C(=CCC2C1C)CCC(=O)C)C

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isomeric SMILES

CC(=O)CCC1=CC[C@H]2[C@H](C[C@@H]1C)OC(=O)[C@@H]2C

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found in taxon

Helichrysum splendidum

1 reference

stated in

Ein neues guajanolid und ein secoguajanolid aus Helichrysum splendidum

Xanthium sibiricum

1 reference

stated in

Bioactive Sesquiterpenes and Lignans from the Fruits of Xanthium sibiricum

Tithonia diversifolia

1 reference

stated in

A New Dinorxanthane and Chromone from the Root of Tithonia diversifolia.

Identifiers

InChI

InChI=1S/C15H22O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h6,9,11,13-14H,4-5,7-8H2,1-3H3/t9-,11+,13+,14-/m0/s1

0 references

InChIKey

KVWUOMNJFDNWQM-FRJFDASCSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KVWUOMNJFDNWQM-FRJFDASCSA-N

1 reference

(Q105146775)

(3R)-3alpha,7beta-Dimethyl-6-(3-oxobutyl)-3,3aalpha,4,7,8,8abeta-hexahydro-2H-cyclohepta[b]furan-2-one

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Identifiers

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