(Q105232541)

English

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

group of stereoisomers with the chemical formula C₄₇H₇₆O₁₈

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

928.5031655920005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₇H₇₆O₁₈

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7O)C(O)C6OC8OC(CO)C(O)C(O)C8O)C(C)(CO)C5CCC4(C)C3(C)CC1

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Identifiers

InChI

InChI=1S/C47H76O18/c1-42(2)13-15-47(41(58)59)16-14-45(5)22(23(47)17-42)7-8-28-43(3)11-10-29(44(4,21-50)27(43)9-12-46(28,45)6)64-40-37(65-39-36(57)34(55)31(52)25(19-49)62-39)32(53)26(20-60-40)63-38-35(56)33(54)30(51)24(18-48)61-38/h7,23-40,48-57H,8-21H2,1-6H3,(H,58,59)

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InChIKey

RADJMOTZTBOWET-UHFFFAOYSA-N

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PubChem CID

14488612

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

RADJMOTZTBOWET-UHFFFAOYSA-N

(Q105232541)

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

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