(Q105384795)

English

[3-[4b,8,8,10a-Tetramethyl-2'-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl] acetate

group of stereoisomers with the chemical formula C₃₈H₆₀O₁₂

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

708.4084773600001 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₈H₆₀O₁₂

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canonical SMILES

O=C(OC(CC1OC(=O)C(C)C1)C(C)C2CCC3C4(C)CCC(OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC3(C)C62COC(=O)C6)C

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Identifiers

InChI

InChI=1S/C38H60O12/c1-19-14-22(48-33(19)45)15-24(47-21(3)40)20(2)23-8-9-27-36(6)12-11-28(50-34-32(44)31(43)30(42)25(17-39)49-34)35(4,5)26(36)10-13-37(27,7)38(23)16-29(41)46-18-38/h19-20,22-28,30-32,34,39,42-44H,8-18H2,1-7H3

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InChIKey

ZWAMUWXPVAELPG-UHFFFAOYSA-N

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PubChem CID

78302484

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZWAMUWXPVAELPG-UHFFFAOYSA-N

1 reference

Human Metabolome Database ID

HMDB0041549

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

ZWAMUWXPVAELPG-UHFFFAOYSA-N

(Q105384795)

[3-[4b,8,8,10a-Tetramethyl-2'-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-(4-methyl-5-oxooxolan-2-yl)butan-2-yl] acetate

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