(Q104936122)

English

BHNSNEIANOWKJE-UHFFFAOYSA-N

group of stereoisomers with the chemical formula C₆₃H₉₄O₂₅

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Statements

group of stereoisomers

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pregnane steroid

1 reference

pregnane steroid

1,250.608418508 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₆₃H₉₄O₂₅

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canonical SMILES

O=C(OC1CC2C(O)(CC=C3CC(OC4OC(C)C(OC5OC(C)C(OC6OC(C)C(OC7OC(CO)C(OC8OC(CO)C(O)C(O)C8O)C(O)C7O)C(OC)C6)C(OC)C5)C(OC)C4)CCC32C)C9(O)CCC(C(=O)C)C19C)C=CC=%10C=CC=CC%10

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Asclepias tuberosa

1 reference

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

Identifiers

InChI=1S/C63H94O25/c1-30(66)37-19-22-63(74)61(37,6)44(84-45(67)16-15-34-13-11-10-12-14-34)27-43-60(5)20-18-36(23-35(60)17-21-62(43,63)73)81-46-24-38(75-7)54(31(2)78-46)85-47-25-39(76-8)55(32(3)79-47)86-48-26-40(77-9)56(33(4)80-48)87-59-53(72)51(70)57(42(29-65)83-59)88-58-52(71)50(69)49(68)41(28-64)82-58/h10-17,31-33,36-44,46-59,64-65,68-74H,18-29H2,1-9H3

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BHNSNEIANOWKJE-UHFFFAOYSA-N

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2 references

15 September 2022

matched by identifier from

BHNSNEIANOWKJE-UHFFFAOYSA-N

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