(Q105258524)

English

[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,7,8,8a,10,11,12,14b-decahydro-1H-picene-4a-carboxylate

group of stereoisomers with the chemical formula C₄₈H₇₄O₁₈

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

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inferred from

oleanane triterpenoid

mass

938.4875155280006 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₈H₇₄O₁₈

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canonical SMILES

O=C(OC1OC(COC2OC(CO)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O)C45CC(=O)C(C)(C)CC5C6=CC=C7C8(C)CCC(O)C(C)(C)C8CCC7(C)C6(C)CC4

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Identifiers

InChI

InChI=1S/C48H74O18/c1-21-30(52)32(54)35(57)40(62-21)65-38-24(19-49)63-39(37(59)34(38)56)61-20-25-31(53)33(55)36(58)41(64-25)66-42(60)48-16-15-46(7)22(23(48)17-43(2,3)29(51)18-48)9-10-27-45(6)13-12-28(50)44(4,5)26(45)11-14-47(27,46)8/h9-10,21,23-26,28,30-41,49-50,52-59H,11-20H2,1-8H3

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InChIKey

SQSRUIJOHYWBIM-UHFFFAOYSA-N

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PubChem CID

85203448

1 reference

based on heuristic

inferred from InChIKey

(Q105258524)

[6-[[3,4-dihydroxy-6-(hydroxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] 10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-oxo-4,5,6,7,8,8a,10,11,12,14b-decahydro-1H-picene-4a-carboxylate

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Identifiers

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