(Q105288492)

English

N-[4,5-dihydroxy-2-[(2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-10-yl)oxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-3-yl]acetamide

group of stereoisomers with the chemical formula C₄₃H₆₇NO₁₃

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instance of

group of stereoisomers

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subclass of

oleanane triterpenoid

1 reference

inferred from

oleanane triterpenoid

mass

805.4612412040004 dalton

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₆₇NO₁₃

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canonical SMILES

CC(=O)NC1C(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)C6CC5(C(=O)O6)C(O)CC34C)C2(C)C)OC(COC2OCC(O)C(O)C2O)C(O)C1O

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found in taxon

Elelea concinna

1 reference

stated in

Acacia concinna saponins. I. Structures of prosapogenols, concinnosides A-F, isolated from the alkaline hydrolysate of the highly polar saponin fraction

Identifiers

InChI

InChI=1S/C43H67NO13/c1-20(45)44-30-33(50)32(49)24(19-54-36-34(51)31(48)23(46)18-53-36)55-35(30)56-28-12-13-40(6)25(39(28,4)5)11-14-41(7)26(40)10-9-21-22-15-38(2,3)29-17-43(22,37(52)57-29)27(47)16-42(21,41)8/h9,22-36,46-51H,10-19H2,1-8H3,(H,44,45)

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InChIKey

VLLPOYAZODCOQG-UHFFFAOYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VLLPOYAZODCOQG-UHFFFAOYSA-N

(Q105288492)

N-[4,5-dihydroxy-2-[(2-hydroxy-4,5,9,9,13,20,20-heptamethyl-23-oxo-22-oxahexacyclo[19.2.1.01,18.04,17.05,14.08,13]tetracos-16-en-10-yl)oxy]-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-3-yl]acetamide

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Identifiers

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