(Q105249158)

English

[(4S,5R,9S,10R,13R,14S)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl (1R,4S,5R,9S,10R,13R,14R)-5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate

group of stereoisomers with the chemical formula C₄₀H₆₀O₅

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instance of

group of stereoisomers

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1 reference

620.44407502 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₆₀O₅

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canonical SMILES

O=CC1(C)CCCC2(C)C1CCC34CC(C(=O)OCC5(O)CC67CCC8C(C=O)(C)CCCC8(C)C7CCC5C6)C(CCC32)C4

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isomeric SMILES

C[C@@]12CCC[C@@](C)(C=O)[C@H]1CCC13C[C@@H](CC[C@H]12)[C@](O)(COC(=O)[C@@H]1C[C@]24CC[C@H]5[C@@](C)(CCC[C@@]5(C)C=O)[C@@H]2CC[C@@H]1C4)C3

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Identifiers

InChI

InChI=1S/C40H60O5/c1-34(23-41)13-5-15-36(3)29(34)11-17-38-19-26(7-9-31(36)38)28(21-38)33(43)45-25-40(44)22-39-18-12-30-35(2,24-42)14-6-16-37(30,4)32(39)10-8-27(40)20-39/h23-24,26-32,44H,5-22,25H2,1-4H3/t26-,27-,28-,29-,30-,31+,32+,34+,35+,36-,37-,38-,39?,40-/m1/s1

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InChIKey

SAUDOPUDLXLFLB-LREWEUKHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

SAUDOPUDLXLFLB-LREWEUKHSA-N

(Q105249158)

[(4S,5R,9S,10R,13R,14S)-5-formyl-14-hydroxy-5,9-dimethyl-14-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl (1R,4S,5R,9S,10R,13R,14R)-5-formyl-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylate

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