(Q105192098)

English

13,15-Dihydroxy-7-[6-(hydroxymethyl)-4-(3-hydroxy-3-phenylpropanoyl)oxy-3-(3-methylbutanoyloxy)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

group of stereoisomers with the chemical formula C₄₅H₆₄O₁₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

876.4143505880005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₆₄O₁₇

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canonical SMILES

O=C(O)C1CC(OC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(OC(=O)CC(O)C=4C=CC=CC4)C2OC(=O)CC(C)C)CC5(C)C1CCC67CC(O)(C(=C)C6O)CCC57

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Identifiers

InChI

InChI=1S/C45H64O17/c1-21(2)15-31(48)61-38-37(60-32(49)17-28(47)24-9-7-6-8-10-24)36(62-41-35(52)34(51)33(50)23(4)57-41)29(19-46)59-42(38)58-25-16-26(40(54)55)27-11-13-44-20-45(56,22(3)39(44)53)14-12-30(44)43(27,5)18-25/h6-10,21,23,25-30,33-39,41-42,46-47,50-53,56H,3,11-20H2,1-2,4-5H3,(H,54,55)

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InChIKey

OHIGXDBNHWNHQB-UHFFFAOYSA-N

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PubChem CID

162902331

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

OHIGXDBNHWNHQB-UHFFFAOYSA-N

(Q105192098)

13,15-Dihydroxy-7-[6-(hydroxymethyl)-4-(3-hydroxy-3-phenylpropanoyl)oxy-3-(3-methylbutanoyloxy)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

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