(Q105368865)

English

10-[3,4-Dihydroxy-5-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

group of stereoisomers with the chemical formula C₄₁H₆₆O₁₃

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Statements

instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

766.4503421720003 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₁H₆₆O₁₃

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(OC7C(O)OC(CO)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC1

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Identifiers

InChI

InChI=1S/C41H66O13/c1-36(2)13-15-41(35(49)50)16-14-39(5)21(22(41)17-36)7-8-26-37(3)11-10-27(38(4,20-43)25(37)9-12-40(26,39)6)54-34-31(47)29(45)24(19-51-34)52-32-30(46)28(44)23(18-42)53-33(32)48/h7,22-34,42-48H,8-20H2,1-6H3,(H,49,50)

0 references

InChIKey

YYQTVZJHRHGDJD-UHFFFAOYSA-N

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PubChem CID

162847387

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

YYQTVZJHRHGDJD-UHFFFAOYSA-N

(Q105368865)

10-[3,4-Dihydroxy-5-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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