(Q105277304)

English

16-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-8-hydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-15,19-diene-12,17-dione

group of stereoisomers with the chemical formula C₄₂H₆₂O₁₄

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instance of

group of stereoisomers

0 references

subclass of

cucurbitane triterpenoid

1 reference

inferred from

cucurbitane triterpenoid

mass

790.4139566640005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₆₂O₁₄

0 references

canonical SMILES

O=C1C(OC2OC(CO)C(O)C(O)C2OC3OC(C)C(O)C(O)C3O)=CC4C(=CCC5C4(C(=O)CC6(C)C7C(OC(C=C(C)C)CC7(O)C)CC56C)C)C1(C)C

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Identifiers

InChI

InChI=1S/C42H62O14/c1-18(2)12-20-14-41(8,51)34-24(53-20)15-39(6)26-11-10-21-22(42(26,9)27(44)16-40(34,39)7)13-23(35(50)38(21,4)5)54-37-33(31(48)29(46)25(17-43)55-37)56-36-32(49)30(47)28(45)19(3)52-36/h10,12-13,19-20,22,24-26,28-34,36-37,43,45-49,51H,11,14-17H2,1-9H3

0 references

InChIKey

UQKQSTXKJGBRSV-UHFFFAOYSA-N

0 references

PubChem CID

73800767

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

UQKQSTXKJGBRSV-UHFFFAOYSA-N

(Q105277304)

16-[4,5-Dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-8-hydroxy-2,8,10,13,18,18-hexamethyl-6-(2-methylprop-1-enyl)-5-oxapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-15,19-diene-12,17-dione

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Identifiers

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