(Q105008303)

English

2,12-Dihydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-tetradecahydropicene-4-carboxylic acid

group of stereoisomers with the chemical formula C₄₂H₆₆O₁₇

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instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

842.4300006520006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₆₆O₁₇

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canonical SMILES

O=C(O)C1(C)C(OC2OC(CO)C(O)C(O)C2O)C(O)CC3(C)C1CCC4(C)C3CC=C5C6C(O)C(C)(C)CCC6(C(=O)OC7OC(CO)C(O)C(O)C7O)CCC54C

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Identifiers

InChI

InChI=1S/C42H66O17/c1-37(2)11-13-42(36(55)59-34-30(51)28(49)26(47)21(17-44)57-34)14-12-39(4)18(24(42)31(37)52)7-8-22-38(3)15-19(45)32(41(6,35(53)54)23(38)9-10-40(22,39)5)58-33-29(50)27(48)25(46)20(16-43)56-33/h7,19-34,43-52H,8-17H2,1-6H3,(H,53,54)

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InChIKey

GGRXMTBPGLVDIB-UHFFFAOYSA-N

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PubChem CID

163014298

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

GGRXMTBPGLVDIB-UHFFFAOYSA-N

(Q105008303)

2,12-Dihydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-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-tetradecahydropicene-4-carboxylic acid

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