(Q105267609)

English

2-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}-6-[(tridecyloxy)methyl]oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₄₈H₈₆O₆

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Statements

instance of

group of stereoisomers

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subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

759.1947 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₈H₈₆O₆

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canonical SMILES

OC1C(OC2CC3=CCC4C(CCC5(C)C(CCC45)C(C)CCC(CC)C(C)C)C3(C)CC2)OC(COCCCCCCCCCCCCC)C(O)C1O

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Identifiers

InChI

InChI=1S/C48H86O6/c1-8-10-11-12-13-14-15-16-17-18-19-30-52-32-42-43(49)44(50)45(51)46(54-42)53-37-26-28-47(6)36(31-37)22-23-38-40-25-24-39(48(40,7)29-27-41(38)47)34(5)20-21-35(9-2)33(3)4/h22,33-35,37-46,49-51H,8-21,23-32H2,1-7H3

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InChIKey

TYNXLLATMHVIDA-UHFFFAOYSA-N

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PubChem CID

163034155

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

TYNXLLATMHVIDA-UHFFFAOYSA-N

(Q105267609)

2-{[1-(5-ethyl-6-methylheptan-2-yl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-7-yl]oxy}-6-[(tridecyloxy)methyl]oxane-3,4,5-triol

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Identifiers

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