(Q105035217)

English

[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10,11-dihydroxy-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-carboxylate

group of stereoisomers with the chemical formula C₄₂H₆₈O₁₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

812.4558214760004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₂H₆₈O₁₅

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canonical SMILES

O=C(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C34CCC(C)(C)CC4C5=CCC6C7(C)CC(O)C(O)C(C)(CO)C7CCC6(C)C5(C)CC3

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Identifiers

InChI

InChI=1S/C42H68O15/c1-37(2)11-13-42(36(53)57-35-32(51)30(49)28(47)24(56-35)18-54-34-31(50)29(48)27(46)23(17-43)55-34)14-12-40(5)20(21(42)15-37)7-8-26-38(3)16-22(45)33(52)39(4,19-44)25(38)9-10-41(26,40)6/h7,21-35,43-52H,8-19H2,1-6H3

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InChIKey

HYAUNNQDGHZXFH-UHFFFAOYSA-N

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PubChem CID

85184801

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

HYAUNNQDGHZXFH-UHFFFAOYSA-N

(Q105035217)

[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl] 10,11-dihydroxy-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-carboxylate

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Identifiers

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