(Q105152010)

English

LHVZRCYMCSSAMT-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₉H₁₀₄O₂₆

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Statements

group of stereoisomers

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pregnane steroid

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pregnane steroid

1,348.681583448 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₆₉H₁₀₄O₂₆

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canonical SMILES

O=C(OC1CC2C(O)(CC=C3CC(OC4OC(C)C(OC5OC(C)C(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC9OC(CO)C(O)C(O)C9O)C(OC)C8)C(O)C7)C(O)C6)C(OC)C5)C(OC)C4)CCC32C)C%10(O)CCC(C(=O)C)C1%10C)C=CC=%11C=CC=CC%11

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Asclepias tuberosa

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An androstane bioside and 3'-thiazolidinone derivatives of doubly-linked cardenolide glycosides from the roots of Asclepias tuberosa

Identifiers

InChI=1S/C69H104O26/c1-33(71)42-21-24-69(79)67(42,8)50(90-51(74)18-17-39-15-13-12-14-16-39)31-49-66(7)22-20-41(25-40(66)19-23-68(49,69)78)88-54-28-45(80-9)63(36(4)85-54)94-56-29-46(81-10)62(37(5)86-56)93-53-27-44(73)60(34(2)84-53)91-52-26-43(72)61(35(3)83-52)92-55-30-47(82-11)64(38(6)87-55)95-65-59(77)58(76)57(75)48(32-70)89-65/h12-19,34-38,41-50,52-65,70,72-73,75-79H,20-32H2,1-11H3

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LHVZRCYMCSSAMT-UHFFFAOYSA-N

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1 reference

15 September 2022

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