(Q115969266)

English

methyl 5-acetyloxy-2-(acetyloxymethyl)-4-[6-formyloxy-1-(furan-3-yl)-3a-hydroxy-7-(2-hydroxy-3-methylpentanoyl)oxy-7a-methyl-4-methylidene-3-oxo-2,5,6,7-tetrahydro-1H-inden-5-yl]-2,4-dimethyl-7-oxooxepane-3-carboxylate

group of stereoisomers with the chemical formula C₃₇H₄₈O₁₆

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

748.294235456 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₇H₄₈O₁₆

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canonical SMILES

O=COC1C(OC(=O)C(O)C(C)CC)C2(C)C(C3=COC=C3)CC(=O)C2(O)C(=C)C1C4(C)C(OC(=O)C)CC(=O)OC(C)(COC(=O)C)C4C(=O)OC

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found in taxon

Munronia pinnata

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stated in

Bioactive Limonoid Constituents of Munronia henryi

Identifiers

InChI

InChI=1S/C37H48O16/c1-10-18(2)28(43)32(44)52-31-29(50-17-38)27(19(3)37(46)24(41)13-23(36(31,37)8)22-11-12-48-15-22)35(7)25(51-21(5)40)14-26(42)53-34(6,16-49-20(4)39)30(35)33(45)47-9/h11-12,15,17-18,23,25,27-31,43,46H,3,10,13-14,16H2,1-2,4-9H3

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InChIKey

KEIRAXFVAMECMP-UHFFFAOYSA-N

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1 reference

3 January 2023

inferred from InChIKey

(Q115969266)

methyl 5-acetyloxy-2-(acetyloxymethyl)-4-[6-formyloxy-1-(furan-3-yl)-3a-hydroxy-7-(2-hydroxy-3-methylpentanoyl)oxy-7a-methyl-4-methylidene-3-oxo-2,5,6,7-tetrahydro-1H-inden-5-yl]-2,4-dimethyl-7-oxooxepane-3-carboxylate

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Identifiers

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