(Q105135097)

English

3-Hydroxy-3-methyl-5-oxo-5-[[7,9,13-trimethyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-oxane]-3'-yl]methoxy]pentanoic acid

group of stereoisomers with the chemical formula C₃₉H₆₀O₁₃

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group of stereoisomers

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736.4033919800003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₉H₆₀O₁₃

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canonical SMILES

O=C(O)CC(O)(C)CC(=O)OCC1COC2(OC3CC4C5CC=C6CC(OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5CCC4(C)C3C2C)CC1

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Identifiers

InChI

InChI=1S/C39H60O13/c1-20-31-27(52-39(20)12-7-21(19-49-39)18-48-30(43)16-36(2,47)15-29(41)42)14-26-24-6-5-22-13-23(8-10-37(22,3)25(24)9-11-38(26,31)4)50-35-34(46)33(45)32(44)28(17-40)51-35/h5,20-21,23-28,31-35,40,44-47H,6-19H2,1-4H3,(H,41,42)

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InChIKey

JTZFBPJXOOTJMR-UHFFFAOYSA-N

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PubChem CID

163024061

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JTZFBPJXOOTJMR-UHFFFAOYSA-N

(Q105135097)

3-Hydroxy-3-methyl-5-oxo-5-[[7,9,13-trimethyl-16-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,6'-oxane]-3'-yl]methoxy]pentanoic acid

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