(Q105307841)

English

6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-(3,4,5-trimethyloxan-2-yl)oxyoxane-2-carboxylic acid

group of stereoisomers with the chemical formula C₅₀H₈₀O₁₅

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

920.5497218600004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₅₀H₈₀O₁₅

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canonical SMILES

O=C(O)C1OC(OC2CCC3(C)C(CCC4(C)C3CC=C5C6CC(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C)C2(C)C)C(OC8OCC(C)C(C)C8C)C(O)C1O

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Identifiers

InChI

InChI=1S/C50H80O15/c1-24-23-60-41(26(3)25(24)2)64-39-36(55)35(54)38(40(57)58)63-43(39)62-32-14-15-47(8)30(46(32,6)7)13-16-49(10)31(47)12-11-27-28-21-45(4,5)17-19-50(28,20-18-48(27,49)9)44(59)65-42-37(56)34(53)33(52)29(22-51)61-42/h11,24-26,28-39,41-43,51-56H,12-23H2,1-10H3,(H,57,58)

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InChIKey

WLADIIKRVOBMQH-UHFFFAOYSA-N

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PubChem CID

162978556

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

WLADIIKRVOBMQH-UHFFFAOYSA-N

(Q105307841)

6-[[4,4,6a,6b,11,11,14b-Heptamethyl-8a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4-dihydroxy-5-(3,4,5-trimethyloxan-2-yl)oxyoxane-2-carboxylic acid

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