(Q105325606)

English

5-Hydroxy-10-[5-hydroxy-3,4-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-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 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(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC8OC(CO)C(O)C(O)C8O)C(C)(C)C5CCC4(C)C3(C)CC1O

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Identifiers

InChI

InChI=1S/C47H76O18/c1-42(2)14-15-47(41(58)59)22(16-42)21-8-9-27-44(5)12-11-29(43(3,4)26(44)10-13-45(27,6)46(21,7)17-28(47)51)63-40-37(65-39-35(57)33(55)31(53)25(19-49)62-39)36(23(50)20-60-40)64-38-34(56)32(54)30(52)24(18-48)61-38/h8,22-40,48-57H,9-20H2,1-7H3,(H,58,59)

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InChIKey

XDBPYWDBIKBHLY-UHFFFAOYSA-N

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PubChem CID

163004236

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

XDBPYWDBIKBHLY-UHFFFAOYSA-N

(Q105325606)

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

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