(Q105207512)

English

5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-(sulfooxy)-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₃₀H₄₈O₇S

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

552.3120748759998 dalton

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based on heuristic

inferred from InChI

chemical formula

C₃₀H₄₈O₇S

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OS(=O)(=O)O)C(C)(C)C5CCC4(C)C3(C)CC1O

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Identifiers

InChI=1S/C30H48O7S/c1-25(2)14-15-30(24(32)33)19(16-25)18-8-9-21-27(5)12-11-23(37-38(34,35)36)26(3,4)20(27)10-13-28(21,6)29(18,7)17-22(30)31/h8,19-23,31H,9-17H2,1-7H3,(H,32,33)(H,34,35,36)

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PEYMPFXFOUIQGT-UHFFFAOYSA-N

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2 references

based on heuristic

inferred from InChIKey

matched by identifier from

PEYMPFXFOUIQGT-UHFFFAOYSA-N

UniChem compound ID

1 reference

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