(Q105218886)

English

[3,4,5-Trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl] 10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

group of stereoisomers with the chemical formula C₄₈H₇₀O₁₇

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Statements

instance of

group of stereoisomers

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subclass of

taraxastane / ursane triterpenoid

1 reference

inferred from

taraxastane / ursane triterpenoid

mass

919.0611 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₇₀O₁₇

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canonical SMILES

O=C(OCC1OC(OC(=O)C23CCC(C)C(O)(C)C3C4=CCC5C6(C)CCC(OC7OC(CO)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2)C(O)C(O)C1O)C8=CC(O)=C(O)C(O)=C8

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Identifiers

InChI

InChI=1S/C48H70O17/c1-22-10-15-48(42(59)65-41-37(57)35(55)34(54)28(63-41)21-61-39(58)23-18-25(50)32(52)26(51)19-23)17-16-45(5)24(38(48)47(22,7)60)8-9-30-44(4)13-12-31(43(2,3)29(44)11-14-46(30,45)6)64-40-36(56)33(53)27(20-49)62-40/h8,18-19,22,27-31,33-38,40-41,49-57,60H,9-17,20-21H2,1-7H3

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InChIKey

QDNCKTWNPWTUJE-UHFFFAOYSA-N

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PubChem CID

163032773

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QDNCKTWNPWTUJE-UHFFFAOYSA-N

(Q105218886)

[3,4,5-Trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl] 10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-1-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate

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