(Q105344760)

English

2-[[8-(5-Ethyl-6-methylheptan-2-yl)-4a,6a-dimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₃₆H₆₄O₆

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

592.470289768 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₆H₆₄O₆

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canonical SMILES

OCC1OC(OC2CCC3(C)C(CCC4C5CCC(CC5(C)CCC43)C(C)CCC(CC)C(C)C)C2)C(O)C(O)C1O

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found in taxon

Maesa lanceolata

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stated in

Triterpene saponins of Maesa lanceolata leaves

Identifiers

InChI

InChI=1S/C36H64O6/c1-7-23(21(2)3)9-8-22(4)24-10-13-28-27-12-11-25-18-26(41-34-33(40)32(39)31(38)30(20-37)42-34)14-17-36(25,6)29(27)15-16-35(28,5)19-24/h21-34,37-40H,7-20H2,1-6H3

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InChIKey

XZABPEQLKXMUBP-UHFFFAOYSA-N

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1 reference

17 September 2022

inferred from InChIKey

(Q105344760)

2-[[8-(5-Ethyl-6-methylheptan-2-yl)-4a,6a-dimethyl-1,2,3,4,4b,5,6,7,8,9,10,10a,10b,11,12,12a-hexadecahydrochrysen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Statements

Identifiers

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