(Q105004735)

English

6-[[4-Carboxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₄₂H₆₄O₁₇

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

840.414350588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₂H₆₄O₁₇

0 references

canonical SMILES

O=C(O)C1OC(OC2C(O)CC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C(=O)O)C)C(O)C(O)C1O

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Identifiers

InChI

InChI=1S/C42H64O17/c1-37(2)11-13-42(36(55)59-33-28(49)25(46)24(45)21(17-43)56-33)14-12-39(4)18(19(42)15-37)7-8-22-38(3)16-20(44)31(41(6,35(53)54)23(38)9-10-40(22,39)5)58-34-29(50)26(47)27(48)30(57-34)32(51)52/h7,19-31,33-34,43-50H,8-17H2,1-6H3,(H,51,52)(H,53,54)

0 references

InChIKey

FYUFCSVJNLYUBD-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FYUFCSVJNLYUBD-UHFFFAOYSA-N

(Q105004735)

6-[[4-Carboxy-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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Identifiers

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