(Q105183714)

English

2-[17-Hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-16-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-one

group of stereoisomers with the chemical formula C₃₈H₆₂O₁₃

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instance of

group of stereoisomers

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1 reference

726.419042044 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₆₂O₁₃

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canonical SMILES

O=C(CCC(C)C)C(C)C1(O)C(OC2OCC(O)C(O)C2O)CC3C4CC=C5CC(OC6OC(CO)C(O)C(O)C6O)CCC5(C)C4CCC31C

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Identifiers

InChI

InChI=1S/C38H62O13/c1-18(2)6-9-25(40)19(3)38(47)28(51-34-32(45)29(42)26(41)17-48-34)15-24-22-8-7-20-14-21(10-12-36(20,4)23(22)11-13-37(24,38)5)49-35-33(46)31(44)30(43)27(16-39)50-35/h7,18-19,21-24,26-35,39,41-47H,6,8-17H2,1-5H3

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InChIKey

NQDDCCOUDFVXKO-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NQDDCCOUDFVXKO-UHFFFAOYSA-N

(Q105183714)

2-[17-Hydroxy-10,13-dimethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-16-(3,4,5-trihydroxyoxan-2-yl)oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]-6-methylheptan-3-one

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