(Q105157830)

English

[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,2,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate

group of stereoisomers with the chemical formula C₄₇H₇₆O₁₇

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

912.508250972 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₇H₇₆O₁₇

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canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C34CCC5=C(CCC6C5(C)CCC7C(C)(C)C(OC8OC(C)C(O)C(O)C8O)CCC67C)C4CC(C)(C)CC3

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Identifiers

InChI

InChI=1S/C47H76O17/c1-21-30(49)33(52)37(56)40(60-21)63-29-12-14-46(7)27(44(29,4)5)11-13-45(6)23-10-15-47(17-16-43(2,3)18-24(47)22(23)8-9-28(45)46)42(58)64-41-38(57)35(54)32(51)26(62-41)20-59-39-36(55)34(53)31(50)25(19-48)61-39/h21,24-41,48-57H,8-20H2,1-7H3

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InChIKey

LVFLAMVQRBKRAI-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

LVFLAMVQRBKRAI-UHFFFAOYSA-N

(Q105157830)

[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 2,2,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-3,4,5,6,6a,7,8,8a,10,11,12,13,14,14b-tetradecahydro-1H-picene-4a-carboxylate

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