(Q105133923)

English

2-[(4E,8E,12S,13S)-5,9-dimethyl-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-12-yl]propan-2-yl acetate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-(5,9-Dimethyl-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-12-yl)propan-2-yl acetate

1 reference

1 reference

360.230059504 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₂H₃₂O₄

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canonical SMILES

O=C1OC2C=C1CCC=C(C)CCC=C(C)CCC2C(OC(=O)C)(C)C

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isomeric SMILES

CC(=O)OC(C)(C)[C@H]1CC/C(C)=C/CC/C(C)=C/CCC2=C[C@@H]1OC2=O

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found in taxon

Litophyton brassicum

2 references

stated in

Cytotoxic terpenoids from the Formosan soft coral Nephthea brassica

stated in

Cytotoxic terpenoids from the Formosan soft coral Nephthea brassica

Identifiers

InChI

InChI=1S/C22H32O4/c1-15-8-6-9-16(2)12-13-19(22(4,5)26-17(3)23)20-14-18(11-7-10-15)21(24)25-20/h9-10,14,19-20H,6-8,11-13H2,1-5H3/b15-10+,16-9+/t19-,20-/m0/s1

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InChIKey

JRHSHBMAWLBQTD-IOGCSYSISA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JRHSHBMAWLBQTD-IOGCSYSISA-N

1 reference

(Q105133923)

2-[(4E,8E,12S,13S)-5,9-dimethyl-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-12-yl]propan-2-yl acetate

Statements

Identifiers

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