(Q105193806)

English

2-[1-[6-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethyl]-5-methyl-2,3-dihydropyran-6-one

group of stereoisomers with the chemical formula C₄₁H₆₄O₁₄

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Statements

instance of

group of stereoisomers

0 references

subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

780.429606728 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₄O₁₄

0 references

canonical SMILES

O=C1OC(CC=C1C)C(C)C2C(O)CC3(C)C4CCC5C(C)(CO)C(OC6OCC(O)C(O)C6OC7OC(CO)C(O)C(O)C7O)CCC85CC48CCC23C

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found in taxon

Aquilegia flabellata

1 reference

stated in

Four new cycloartane glycosides from Aquilegia vulgaris and their immunosuppressive activities in mouse allogeneic mixed lymphocyte reaction

Identifiers

InChI

InChI=1S/C41H64O14/c1-19-6-7-23(52-34(19)50)20(2)28-21(44)14-39(5)26-9-8-25-37(3,18-43)27(10-11-40(25)17-41(26,40)13-12-38(28,39)4)54-36-33(29(46)22(45)16-51-36)55-35-32(49)31(48)30(47)24(15-42)53-35/h6,20-33,35-36,42-49H,7-18H2,1-5H3

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InChIKey

OKWLDWGMBXBXMR-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

OKWLDWGMBXBXMR-UHFFFAOYSA-N

(Q105193806)

2-[1-[6-[4,5-Dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-14-hydroxy-7-(hydroxymethyl)-7,12,16-trimethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethyl]-5-methyl-2,3-dihydropyran-6-one

Statements

Identifiers

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