(Q105174346)

English

MXMNDRGSVFASPP-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₉H₉₄O₂₇

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Statements

group of stereoisomers

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oleanane triterpenoid

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oleanane triterpenoid

1,234.598247748 dalton

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based on heuristic

inferred from InChI

chemical formula

C₅₉H₉₄O₂₇

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canonical SMILES

O=C(O)C1OC(OC2C(O)COC(OC3CCC4(C)C(CCC5(C)C4CC=C6C7CC(C)(C)CCC7(C(=O)OC8OC(COC9OC(CO)C(OC%10OC(C)C(O)C(O)C%10O)C(O)C9O)C(O)C(O)C8O)CCC65C)C3(C)C)C2O)C(O)C(O)C1O

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Identifiers

InChI=1S/C59H94O27/c1-23-32(62)34(64)39(69)50(79-23)84-45-27(20-60)80-48(42(72)38(45)68)78-22-28-33(63)35(65)40(70)51(81-28)86-53(76)59-17-15-54(2,3)19-25(59)24-9-10-30-56(6)13-12-31(55(4,5)29(56)11-14-58(30,8)57(24,7)16-18-59)82-49-43(73)44(26(61)21-77-49)83-52-41(71)36(66)37(67)46(85-52)47(74)75/h9,23,25-46,48-52,60-73H,10-22H2,1-8H3,(H,74,75)

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MXMNDRGSVFASPP-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

MXMNDRGSVFASPP-UHFFFAOYSA-N

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