(Q104994503)

English

FFKHYLGULXFXII-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₄H₈₈O₂₁

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

1,072.5818098360007 dalton

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based on heuristic

inferred from InChI

chemical formula

C₅₄H₈₈O₂₁

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canonical SMILES

OCC1OC(OC2C(OC(C)C(O)C2OC3OC(CO)C(OC4OC(C)C(O)C(O)C4O)C(O)C3O)OC5CCC6(C)C7C=CC89OCC%10(CCC(C)(C)CC8%10)CCC9(C)C7(C)CCC6C5(C)CO)C(O)C(O)C1O

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Identifiers

InChI=1S/C54H88O21/c1-24-32(58)35(61)38(64)44(68-24)73-41-27(21-56)71-46(40(66)37(41)63)74-42-33(59)25(2)69-47(43(42)75-45-39(65)36(62)34(60)26(20-55)70-45)72-31-11-12-49(5)28(50(31,6)22-57)9-13-51(7)29(49)10-14-54-30-19-48(3,4)15-17-53(30,23-67-54)18-16-52(51,54)8/h10,14,24-47,55-66H,9,11-13,15-23H2,1-8H3

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FFKHYLGULXFXII-UHFFFAOYSA-N

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1 reference

15 September 2022

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