(Q105191995)

English

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

group of stereoisomers with the chemical formula C₂₆H₄₀O₉

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instance of

group of stereoisomers

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1 reference

496.26723285999987 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₆H₄₀O₉

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2(C)CCCC3(C)C2CCC45CC(C(=C)C4O)CC(O)C35

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isomeric SMILES

C=C1C2CC(O)[C@@H]3[C@@](CC[C@@H]4[C@](C)(C(=O)OC5OC(CO)C(O)C(O)C5O)CCC[C@]43C)(C2)C1O

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Identifiers

InChI

InChI=1S/C26H40O9/c1-12-13-9-14(28)20-24(2)6-4-7-25(3,16(24)5-8-26(20,10-13)21(12)32)23(33)35-22-19(31)18(30)17(29)15(11-27)34-22/h13-22,27-32H,1,4-11H2,2-3H3/t13?,14?,15?,16-,17?,18?,19?,20-,21?,22?,24+,25+,26+/m0/s1

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InChIKey

OHCCJDCXGVSWSO-NPMHZTQBSA-N

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PubChem CID

138113849

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OHCCJDCXGVSWSO-NPMHZTQBSA-N

1 reference

(Q105191995)

[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S)-11,15-dihydroxy-5,9-dimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate

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