(Q115952099)

English

10-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

group of stereoisomers with the chemical formula C₄₁H₆₄O₁₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

764.434692108 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₁H₆₄O₁₃

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canonical SMILES

O=C(O)C12C(=CCC3C4(C)CCC(OC5OC(C)C(OC6OCC(O)C(O)C6O)C(O)C5O)C(C)(C)C4CCC31C)C7C(C)C(C)CCC7(C(=O)O)CC2

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found in taxon

Nauclea orientalis

1 reference

stated in

On the Constituents of Nauclea orientalis L. I. Noreugenin and Naucleoside, A New Glycoside. : Terpenoids V

Identifiers

InChI

InChI=1S/C41H64O13/c1-19-10-15-40(35(47)48)16-17-41(36(49)50)22(27(40)20(19)2)8-9-25-38(6)13-12-26(37(4,5)24(38)11-14-39(25,41)7)53-34-31(46)29(44)32(21(3)52-34)54-33-30(45)28(43)23(42)18-51-33/h8,19-21,23-34,42-46H,9-18H2,1-7H3,(H,47,48)(H,49,50)

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InChIKey

CVLTVRFXFZFTHI-UHFFFAOYSA-N

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2 references

2 January 2023

inferred from InChIKey

matched by identifier from

InChIKey

CVLTVRFXFZFTHI-UHFFFAOYSA-N

(Q115952099)

10-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid

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Identifiers

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