(Q105152208)

English

1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3bH,4H,9aH,11H-cyclopenta[a]phenanthrene-7,10-dione

group of stereoisomers with the chemical formula C₃₆H₅₂O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

cucurbitane triterpenoid

1 reference

inferred from

cucurbitane triterpenoid

mass

676.345877104 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₆H₅₂O₁₂

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canonical SMILES

O=C(C=CC(O)(C)C)C(O)(C)C1C(O)CC2(C)C3CC=C4C(C=C(OC5OC(CO)C(O)C(O)C5O)C(=O)C4(C)C)C3(C(=O)CC12C)C

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Identifiers

InChI

InChI=1S/C36H52O12/c1-31(2,45)12-11-23(39)36(8,46)28-19(38)14-33(5)22-10-9-17-18(35(22,7)24(40)15-34(28,33)6)13-20(29(44)32(17,3)4)47-30-27(43)26(42)25(41)21(16-37)48-30/h9,11-13,18-19,21-22,25-28,30,37-38,41-43,45-46H,10,14-16H2,1-8H3

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InChIKey

LIIOJBIJVPGVGO-UHFFFAOYSA-N

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PubChem CID

74949889

1 reference

matched by identifier from

InChIKey

LIIOJBIJVPGVGO-UHFFFAOYSA-N

(Q105152208)

1-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2-hydroxy-3a,6,6,9b,11a-pentamethyl-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3bH,4H,9aH,11H-cyclopenta[a]phenanthrene-7,10-dione

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Identifiers

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