(Q104987105)

English

[6-[[15-(5,6-Dihydroxy-6-methylheptan-2-yl)-14-hydroxy-7,7,12,16-tetramethyl-6-(3,4,5-trihydroxyoxan-2-yl)oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

group of stereoisomers with the chemical formula C₄₃H₇₂O₁₅

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Statements

instance of

group of stereoisomers

0 references

subclass of

cycloartane triterpenoid

1 reference

inferred from

cycloartane triterpenoid

mass

828.487121604 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₇₂O₁₅

0 references

canonical SMILES

O=C(OCC1OC(OC2CC3C4(C)CC(O)C(C(C)CCC(O)C(O)(C)C)C4(C)CCC53CC65CCC(OC7OCC(O)C(O)C7O)C(C)(C)C26)C(O)C(O)C1O)C

0 references

found in taxon

Astragalus tragacantha

2 references

stated in

Triterpene glycosides of Astragalus and their genins. XXIII. Cyclocanthogenin from Astragalus tragacantha

stated in

Triterpene glycosides of Astragalus and their genins XLII. Cycloartanes of Astragalus tragacantha

Astragalus massiliensis

2 references

stated in

Triterpene glycosides of Astragalus and their genins. XXIII. Cyclocanthogenin from Astragalus tragacantha

stated in

Triterpene glycosides of Astragalus and their genins XLII. Cycloartanes of Astragalus tragacantha

Identifiers

InChI

InChI=1S/C43H72O15/c1-20(9-10-27(47)39(5,6)53)29-22(45)16-41(8)26-15-24(56-37-34(52)32(50)31(49)25(57-37)18-54-21(2)44)35-38(3,4)28(58-36-33(51)30(48)23(46)17-55-36)11-12-43(35)19-42(26,43)14-13-40(29,41)7/h20,22-37,45-53H,9-19H2,1-8H3

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InChIKey

DQRSQCZWGFMALG-UHFFFAOYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

DQRSQCZWGFMALG-UHFFFAOYSA-N

(Q104987105)

[6-[[15-(5,6-Dihydroxy-6-methylheptan-2-yl)-14-hydroxy-7,7,12,16-tetramethyl-6-(3,4,5-trihydroxyoxan-2-yl)oxy-9-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate

Statements

Identifiers

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