(Q115950845)

English

(1S,2R,3R,7S,9S,10R,12S)-2-hydroxy-9-methyl-4,13-dimethylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

cycloeudesmane sesquiterpenoid

1 reference

based on heuristic

inferred from SMILES

mass

246.125594436 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₅H₁₈O₃

0 references

canonical SMILES

O=C1OC2CC3(C)C(C(=C)C4CC43)C(O)C2C1=C

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isomeric SMILES

C=C1C(=O)O[C@H]2C[C@@]3(C)[C@@H]4C[C@@H]4C(=C)[C@@H]3[C@@H](O)[C@@H]12

0 references

found in taxon

Wunderlichia mirabilis

1 reference

stated in

Neue Spirosesquiterpenlactone, Germacranolide und Eudesmanolide ausWunderlichia mirabilis

Identifiers

InChI

InChI=1S/C15H18O3/c1-6-8-4-9(8)15(3)5-10-11(13(16)12(6)15)7(2)14(17)18-10/h8-13,16H,1-2,4-5H2,3H3/t8-,9-,10+,11+,12-,13+,15+/m1/s1

0 references

InChIKey

CHNSWQFAOPYBLU-NCYRRLPBSA-N

0 references

2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

CHNSWQFAOPYBLU-NCYRRLPBSA-N

(Q115950845)

(1S,2R,3R,7S,9S,10R,12S)-2-hydroxy-9-methyl-4,13-dimethylidene-6-oxatetracyclo[7.4.0.03,7.010,12]tridecan-5-one

Statements

Identifiers

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