(Q104990216)

English

(1R,4Z,9S)-4-[[(1R,4Z,9S)-11,11-dimethyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methoxymethyl]-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

4-[(11,11-Dimethyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl)methoxymethyl]-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one

1 reference

based on heuristic

inferred from SMILES

(4Z,9S)-4-[[(4Z,9S)-11,11-dimethyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methoxymethyl]-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one

1 reference

based on heuristic

inferred from SMILES

mass

450.313395204 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₄₂O₃

0 references

canonical SMILES

O=C1C(=CCCC(=C)C2CC(C)(C)C2C1)COCC3=CCCC(=C)C4CC(C)(C)C4CC3=O

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isomeric SMILES

C=C1CC/C=C(/COC/C2=C/CCC(=C)[C@H]3CC(C)(C)[C@@H]3CC2=O)C(=O)C[C@@H]2[C@@H]1CC2(C)C

0 references

found in taxon

Pulicaria arabica

1 reference

stated in

Caryophyllene derivatives from Pulicaria arabica

Identifiers

InChI

InChI=1S/C30H42O3/c1-19-9-7-11-21(27(31)13-25-23(19)15-29(25,3)4)17-33-18-22-12-8-10-20(2)24-16-30(5,6)26(24)14-28(22)32/h11-12,23-26H,1-2,7-10,13-18H2,3-6H3/b21-11-,22-12-/t23-,24-,25-,26-/m1/s1

0 references

InChIKey

DVMLAMKRQMRWRG-WBGWVOHASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DVMLAMKRQMRWRG-WBGWVOHASA-N

(Q104990216)

(1R,4Z,9S)-4-[[(1R,4Z,9S)-11,11-dimethyl-8-methylidene-3-oxo-4-bicyclo[7.2.0]undec-4-enyl]methoxymethyl]-11,11-dimethyl-8-methylidenebicyclo[7.2.0]undec-4-en-3-one

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