(Q105137907)

English

[(1S,5Z,9R,10R)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate

chemical compound

In more languages

Statements

type of chemical entity

0 references

[(1S,5Z,10S)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

[6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxobicyclo[7.2.0]undec-5-en-10-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

292.167459248 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1R,5E,9R,10R)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1S,5Z,9R,10S)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,5Z,9R,10S)-6-(hydroxymethyl)-10-methyl-2-methylidene-7-oxo-10-bicyclo[7.2.0]undec-5-enyl]methyl acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₄O₄

0 references

canonical SMILES

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

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isomeric SMILES

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

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Pulicaria dysenterica

1 reference

Caryophyllene derivatives and a hydroxyisocomene from Pulicaria dysenterica

Pulicaria paludosa

1 reference

Sesquiterpenoids and phenolics of Pulicaria paludosa

Identifiers

InChI=1S/C17H24O4/c1-11-5-4-6-13(9-18)16(20)7-15-14(11)8-17(15,3)10-21-12(2)19/h6,14-15,18H,1,4-5,7-10H2,2-3H3/b13-6-/t14-,15-,17+/m1/s1

0 references

KAMJEJATROMPAT-WUSAYZOBSA-N

0 references

2 references

26 December 2021

matched by identifier from

KAMJEJATROMPAT-WUSAYZOBSA-N

mapping relation type

2 references

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI=1S/C17H24O4/c1-11-5-4-6-13(9-18)16(20)7-15-14(11)8-17(15,3)10-21-12(2)19/h6,14-15,18H,1,4-5,7-10H2,2-3H3/b13-6-/t14-,15-,17+/m1/s1

UniChem compound ID

1 reference

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