(Q105110886)

English

ICBHBSRUQCOAJI-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₂H₁₀₀O₃₅

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Statements

group of stereoisomers

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pregnane steroid

1 reference

pregnane steroid

1,404.6045149 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₂H₁₀₀O₃₅

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canonical SMILES

O=C(OC1CC2C3CC=C4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC8OC(CO)C(O)C(OC9OC(CO)C(O)C(O)C9O)C8O)C(O)C5O)C(O)CC4(C)C3CCC2(C)C1C(=O)C)CCC(C)COC%10OC(CO)C(O)C(O)C%10O

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Identifiers

InChI=1S/C62H100O35/c1-21(19-85-55-47(81)43(77)39(73)31(14-63)89-55)5-8-36(71)87-30-12-26-24-7-6-23-11-29(27(69)13-62(23,4)25(24)9-10-61(26,3)37(30)22(2)68)88-57-49(83)45(79)51(35(18-67)93-57)94-60-54(53(42(76)34(17-66)92-60)96-56-46(80)38(72)28(70)20-86-56)97-59-50(84)52(41(75)33(16-65)91-59)95-58-48(82)44(78)40(74)32(15-64)90-58/h6,21,24-35,37-60,63-67,69-70,72-84H,5,7-20H2,1-4H3

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ICBHBSRUQCOAJI-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

ICBHBSRUQCOAJI-UHFFFAOYSA-N

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