(Q105284232)

English

[(7S,8R,9R,11S,12R,21R)-1,8,17,18,22,22-hexahydroxy-9-(hydroxymethyl)-2,5,14-trioxo-6,10,13,23-tetraoxapentacyclo[17.3.1.04,21.07,12.015,20]tricosa-3,15,17,19-tetraen-11-yl] 3,4,5-trihydroxybenzoate

group of stereoisomers with the chemical formula C₂₇H₂₂O₁₉

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

650.075528484 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₇H₂₂O₁₉

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canonical SMILES

O=C(OC1OC(CO)C(O)C2OC(=O)C3=CC(=O)C4(O)OC=5C(O)=C(O)C=C(C(=O)OC12)C5C3C4(O)O)C6=CC(O)=C(O)C(O)=C6

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isomeric SMILES

O=C1O[C@@H]2[C@@H](OC(=O)c3cc(O)c(O)c4c3[C@@H]3C1=CC(=O)C(O)(O4)C3(O)O)[C@H](OC(=O)c1cc(O)c(O)c(O)c1)O[C@H](CO)[C@H]2O

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found in taxon

Acalypha indica

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stated in

Phenolics fromAcalypha indica

Identifiers

InChI

InChI=1S/C27H22O19/c28-5-12-18(35)20-21(25(42-12)45-22(36)6-1-9(29)16(33)10(30)2-6)44-23(37)7-3-11(31)17(34)19-14(7)15-8(24(38)43-20)4-13(32)27(41,46-19)26(15,39)40/h1-4,12,15,18,20-21,25,28-31,33-35,39-41H,5H2/t12-,15+,18-,20+,21-,25+,27?/m1/s1

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InChIKey

VDKWTQCDCPMSOH-OIPZPGHVSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VDKWTQCDCPMSOH-OIPZPGHVSA-N

(Q105284232)

[(7S,8R,9R,11S,12R,21R)-1,8,17,18,22,22-hexahydroxy-9-(hydroxymethyl)-2,5,14-trioxo-6,10,13,23-tetraoxapentacyclo[17.3.1.04,21.07,12.015,20]tricosa-3,15,17,19-tetraen-11-yl] 3,4,5-trihydroxybenzoate

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Identifiers

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