(Q105370201)

English

(14E)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl 3-methylbutanoate

group of stereoisomers with the chemical formula C₄₄H₅₈O₁₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

794.387741916 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₄H₅₈O₁₃

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canonical SMILES

O=C1OC2C(C)CC3C2(O)C(O)C4(OC4C5C6OC7(OC(C(C)C53O7)C6(O)C(O)(C)CC8CCC(C(OC(=O)CC(C)C)C=CC=C1)C8C)C=9C=CC=CC9)CO

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isomeric SMILES

CC(C)CC(=O)OC1C=C/C=C/C(=O)OC2C(C)CC3C2(O)C(O)C2(CO)OC2C2C4OC5(c6ccccc6)OC(C(C)C23O5)C4(O)C(C)(O)CC2CCC1C2C

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C44H58O13/c1-22(2)18-32(47)52-29-14-10-11-15-31(46)53-34-23(3)19-30-41(34,50)38(48)40(21-45)36(54-40)33-37-43(51,39(6,49)20-26-16-17-28(29)24(26)4)35-25(5)42(30,33)57-44(55-35,56-37)27-12-8-7-9-13-27/h7-15,22-26,28-30,33-38,45,48-51H,16-21H2,1-6H3/b14-10?,15-11+

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InChIKey

ZAVYYYQORHVVFN-ABRJVYRDSA-N

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(Q105370201)

(14E)-6,7,24,25-tetrahydroxy-5-(hydroxymethyl)-10,24,31,33-tetramethyl-13-oxo-28-phenyl-4,12,27,29,32-pentaoxaoctacyclo[26.3.1.1¹⁹,²².0¹,⁸.0²,²⁶.0³,⁵.0⁷,¹¹.0²⁵,³⁰]tritriaconta-14,16-dien-18-yl 3-methylbutanoate

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