(Q105284655)

English

(1S,2S,5S,6S,14R,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

group of stereoisomers with the chemical formula C₂₈H₃₀O₁₀

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

526.18389716 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₀O₁₀

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canonical SMILES

O=C1OC2CC(C1=C)(C)C3C(=O)C4(O)OC35C(O)(C(=O)OC25C)CCC6C4C(O)C=C7CC=CC(=O)C76C

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isomeric SMILES

C=C1C(=O)O[C@@H]2C[C@@]1(C)[C@@H]1C(=O)[C@@]3(O)OC14C(O)(CCC1[C@H]3C(O)C=C3CC=CC(=O)[C@@]31C)C(=O)OC24C

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found in taxon

Alkekengi officinarum franchetii

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stated in

Characterization of physalins and fingerprint analysis for the quality evaluation of Physalis alkekengi L. var. franchetii by ultra-performance liquid chromatography combined with diode array detection and electrospray ionization tandem mass spectro

Identifiers

InChI

InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14?,15?,17-,18+,19+,23-,24+,25?,26?,27+,28?/m1/s1

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InChIKey

VELDODQHYQSJOF-GTECDKSNSA-N

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1 reference

10 May 2023

inferred from InChIKey

1 reference

(Q105284655)

(1S,2S,5S,6S,14R,22R)-5,7,18-trihydroxy-1,14,21-trimethyl-25-methylidene-4,20,23-trioxaheptacyclo[20.3.1.12,5.03,18.03,21.06,15.09,14]heptacosa-8,11-diene-13,19,24,27-tetrone

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Identifiers

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