(Q105144592)

English

[2-[3-Acetyloxy-2-[[3,17-dihydroxy-10,13-dimethyl-17-(6-methyl-3-oxoheptan-2-yl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4-dimethoxybenzoate

group of stereoisomers with the chemical formula C₄₈H₇₀O₁₆

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instance of

group of stereoisomers

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1 reference

902.4663861600005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₈H₇₀O₁₆

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canonical SMILES

O=C(OC1C(OCC(O)C1O)OC2C(O)COC(OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3(O)C(C(=O)CCC(C)C)C)C2OC(=O)C)C7=CC=C(OC)C(OC)=C7

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Identifiers

InChI

InChI=1S/C48H70O16/c1-24(2)9-13-33(51)25(3)48(56)38(21-32-30-12-11-28-20-29(50)15-17-46(28,5)31(30)16-18-47(32,48)6)62-45-42(61-26(4)49)40(35(53)23-60-45)64-44-41(39(54)34(52)22-59-44)63-43(55)27-10-14-36(57-7)37(19-27)58-8/h10-11,14,19,24-25,29-32,34-35,38-42,44-45,50,52-54,56H,9,12-13,15-18,20-23H2,1-8H3

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InChIKey

KQJXNSWVFJLYMH-UHFFFAOYSA-N

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PubChem CID

85043623

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

KQJXNSWVFJLYMH-UHFFFAOYSA-N

(Q105144592)

[2-[3-Acetyloxy-2-[[3,17-dihydroxy-10,13-dimethyl-17-(6-methyl-3-oxoheptan-2-yl)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxyoxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4-dimethoxybenzoate

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