(Q105206471)

English

[3-acetyloxy-2-[[17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-6-methyloxan-4-yl] acetate

group of stereoisomers with the chemical formula C₄₀H₅₈O₁₃

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instance of

group of stereoisomers

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subclass of

cucurbitane triterpenoid

1 reference

inferred from

cucurbitane triterpenoid

mass

746.3877419160003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₈O₁₃

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canonical SMILES

O=C(OC1C(OC(C)C(O)C1OC(=O)C)OC2CC3(C)C4CC=C5C(CC(O)C(=O)C5(C)C)C4(C(=O)CC3(C)C2C(O)(C(=O)C=CC(O)(C)C)C)C)C

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Identifiers

InChI

InChI=1S/C40H58O13/c1-19-29(46)30(51-20(2)41)31(52-21(3)42)34(50-19)53-25-17-37(8)26-13-12-22-23(16-24(43)33(47)36(22,6)7)39(26,10)28(45)18-38(37,9)32(25)40(11,49)27(44)14-15-35(4,5)48/h12,14-15,19,23-26,29-32,34,43,46,48-49H,13,16-18H2,1-11H3

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InChIKey

PDGIZFCBKOFYMF-UHFFFAOYSA-N

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PubChem CID

162842114

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

PDGIZFCBKOFYMF-UHFFFAOYSA-N

(Q105206471)

[3-acetyloxy-2-[[17-(2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2-hydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-5-hydroxy-6-methyloxan-4-yl] acetate

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