(Q105328008)

English

XHCADIREVNEQEV-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₅₉H₉₆O₂₆

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Statements

group of stereoisomers

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pregnane steroid

1 reference

pregnane steroid

1,220.618983192 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₉H₉₆O₂₆

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canonical SMILES

O=C(OC1C(OC(=O)C)C2(C)C(CCC2(O)C3(O)CC=C4CC(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8O)C(OC)C7)C(OC)C6)C(OC)C5)CCC4(C)C13)C(O)C)C

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Identifiers

InChI=1S/C59H96O26/c1-25(61)34-16-19-59(69)57(34,9)53(79-31(7)63)51(78-30(6)62)52-56(8)17-15-33(20-32(56)14-18-58(52,59)68)80-39-21-35(70-10)46(26(2)74-39)82-40-22-36(71-11)47(27(3)75-40)83-41-23-37(72-12)48(28(4)76-41)84-55-45(67)50(73-13)49(29(5)77-55)85-54-44(66)43(65)42(64)38(24-60)81-54/h14,25-29,33-55,60-61,64-69H,15-24H2,1-13H3

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XHCADIREVNEQEV-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

XHCADIREVNEQEV-UHFFFAOYSA-N

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