(Q105249030)

English

2,2,6a,6b,9,9,12a-Heptamethyl-10-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-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 C₄₇H₇₆O₁₇

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Statements

instance of

group of stereoisomers

0 references

subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

912.5082509720005 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₇H₇₆O₁₇

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canonical SMILES

O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(COC7OC(COC8OCC(O)C(O)C8O)C(O)C(O)C7O)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CC1

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Identifiers

InChI

InChI=1S/C47H76O17/c1-42(2)14-16-47(41(57)58)17-15-45(6)22(23(47)18-42)8-9-28-44(5)12-11-29(43(3,4)27(44)10-13-46(28,45)7)64-40-37(56)34(53)32(51)26(63-40)21-61-39-36(55)33(52)31(50)25(62-39)20-60-38-35(54)30(49)24(48)19-59-38/h8,23-40,48-56H,9-21H2,1-7H3,(H,57,58)

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InChIKey

SAPHLLAJXWRHLX-UHFFFAOYSA-N

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PubChem CID

78385382

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

SAPHLLAJXWRHLX-UHFFFAOYSA-N

(Q105249030)

2,2,6a,6b,9,9,12a-Heptamethyl-10-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

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Identifiers

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