(Q105225321)

English

4-oxotridecyl 6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-3-octadeca-9,12,15-trienoyloxyoxane-2-carboxylate

group of stereoisomers with the chemical formula C₆₆H₁₁₀O₉

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Statements

instance of

group of stereoisomers

0 references

subclass of

stigmastan-type steroid

1 reference

inferred from

stigmastan-type steroid

mass

1,046.8149851000003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆₆H₁₁₀O₉

0 references

canonical SMILES

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

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Identifiers

InChI

InChI=1S/C66H110O9/c1-9-12-14-16-18-19-20-21-22-23-24-25-27-29-31-35-58(68)74-61-59(69)60(70)64(75-62(61)63(71)72-46-32-34-52(67)33-30-28-26-17-15-13-10-2)73-53-42-44-65(7)51(47-53)38-39-54-56-41-40-55(66(56,8)45-43-57(54)65)49(6)36-37-50(11-3)48(4)5/h12,14,18-19,21-22,38,48-50,53-57,59-62,64,69-70H,9-11,13,15-17,20,23-37,39-47H2,1-8H3

0 references

InChIKey

QPDKKGPZUXYIAC-UHFFFAOYSA-N

0 references

PubChem CID

162994907

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

QPDKKGPZUXYIAC-UHFFFAOYSA-N

(Q105225321)

4-oxotridecyl 6-[[17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-4,5-dihydroxy-3-octadeca-9,12,15-trienoyloxyoxane-2-carboxylate

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Identifiers

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