(Q104992097)

English

(1R,5R,9S)-11-Methyl-11alpha-(acetoxymethyl)-5alpha-methoxy-4,8-bismethylenebicyclo[7.2.0]undecan-3-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

{5-methoxy-10-methyl-2,6-dimethylidene-7-oxobicyclo[7.2.0]undecan-10-yl}methyl acetate

1 reference

based on heuristic

inferred from SMILES

[(1S,5R,10S)-5-methoxy-10-methyl-2,6-dimethylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

[(1S,5S,10S)-5-methoxy-10-methyl-2,6-dimethylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

306.183109312 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,5S,9R,10S)-5-methoxy-10-methyl-2,6-dimethylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(1R,5S,9S)-11-Methyl-11alpha-(acetoxymethyl)-5beta-methoxy-4,8-bismethylenebicyclo[7.2.0]undecan-3-one

1 reference

based on heuristic

inferred from InChI

[(1R,5R,9R,10S)-5-methoxy-10-methyl-2,6-dimethylidene-7-oxo-10-bicyclo[7.2.0]undecanyl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₈H₂₆O₄

0 references

canonical SMILES

O=C(OCC1(C)CC2C(=C)CCC(OC)C(=C)C(=O)CC21)C

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isomeric SMILES

C=C1CC[C@@H](OC)C(=C)C(=O)C[C@@H]2[C@@H]1C[C@]2(C)COC(C)=O

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found in taxon

Pulicaria arabica

1 reference

stated in

Caryophyllene derivatives from Pulicaria arabica

Identifiers

InChI

InChI=1S/C18H26O4/c1-11-6-7-17(21-5)12(2)16(20)8-15-14(11)9-18(15,4)10-22-13(3)19/h14-15,17H,1-2,6-10H2,3-5H3/t14-,15-,17-,18-/m1/s1

0 references

InChIKey

DZYFVCXNJAYEPO-JOCBIADPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DZYFVCXNJAYEPO-JOCBIADPSA-N

1 reference

(Q104992097)

(1R,5R,9S)-11-Methyl-11alpha-(acetoxymethyl)-5alpha-methoxy-4,8-bismethylenebicyclo[7.2.0]undecan-3-one

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