(Q105116696)

English

1-(2,6-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,7,8,9-tetrahydroxy-9a,11a-dimethyl-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one

group of stereoisomers with the chemical formula C₃₃H₅₄O₁₃

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instance of

group of stereoisomers

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1 reference

658.356441788 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₃H₅₄O₁₃

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canonical SMILES

O=C1C=C2C(CCC3(C)C(CCC23O)C(O)(C)C(OC4OC(CO)C(O)C(O)C4O)CCC(O)(C)C)C5(C)C(O)C(O)C(O)CC15

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Identifiers

InChI

InChI=1S/C33H54O13/c1-29(2,42)9-8-22(46-28-26(40)25(39)24(38)20(14-34)45-28)32(5,43)21-7-11-33(44)16-12-18(35)17-13-19(36)23(37)27(41)31(17,4)15(16)6-10-30(21,33)3/h12,15,17,19-28,34,36-44H,6-11,13-14H2,1-5H3

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InChIKey

IOJDAWSWQWSBHN-UHFFFAOYSA-N

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PubChem CID

14828305

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

IOJDAWSWQWSBHN-UHFFFAOYSA-N

1 reference

(Q105116696)

1-(2,6-dihydroxy-6-methyl-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-2-yl)-3a,7,8,9-tetrahydroxy-9a,11a-dimethyl-1H,2H,3H,5aH,6H,7H,8H,9H,9bH,10H,11H-cyclopenta[a]phenanthren-5-one

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