(Q105154879)

English

ethyl 3-[(1S,4R,5R,8S,9R,12S,13R)-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate

chemical compound

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instance of

type of chemical entity

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subclass of

Ethyl 3-[4,8-dimethyl-5-[1-(5-methyl-6-oxo-2,3-dihydropyran-2-yl)ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate

1 reference

based on heuristic

inferred from SMILES

mass

496.355260016 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₈O₄

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canonical SMILES

O=C1OC(CC=C1C)C(C)C2CCC3(C)C4CCC(C(=C)C)C5(CCC(=O)OCC)CC45CCC23C

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isomeric SMILES

C=C(C)[C@@H]1CC[C@H]2[C@]3(CC[C@]4(C)[C@@H]([C@H](C)[C@H]5CC=C(C)C(=O)O5)CC[C@@]24C)C[C@]13CCC(=O)OCC

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found in taxon

Kadsura heteroclita

1 reference

stated in

Three New Cyclolanostane Triterpenoids from the Ethanol Extract of the Stems ofKadsura heteroclita

Identifiers

InChI

InChI=1S/C32H48O4/c1-8-35-27(33)14-16-31-19-32(31)18-17-29(6)24(22(5)25-11-9-21(4)28(34)36-25)13-15-30(29,7)26(32)12-10-23(31)20(2)3/h9,22-26H,2,8,10-19H2,1,3-7H3/t22-,23-,24+,25+,26+,29+,30-,31+,32-/m0/s1

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InChIKey

LORJBNLTPQGANH-MMWXJGLUSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105154879)

ethyl 3-[(1S,4R,5R,8S,9R,12S,13R)-4,8-dimethyl-5-[(1S)-1-[(2R)-5-methyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-12-prop-1-en-2-yl-13-tetracyclo[7.5.0.01,13.04,8]tetradecanyl]propanoate

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