(Q105351106)

English

[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(9S)-1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]oxan-2-yl]methyl acetate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

[3,4,5-trihydroxy-6-[1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]oxan-2-yl]methyl acetate

1 reference

based on heuristic

inferred from SMILES

mass

476.131861588 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₃H₂₄O₁₁

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canonical SMILES

O=C(OCC1OC(C(O)C(O)C1O)C2C3=CC(=CC(O)=C3C(=O)C=4C(O)=CC=C(O)C42)CO)C

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isomeric SMILES

CC(=O)OC[C@H]1O[C@@H]([C@H]2c3cc(CO)cc(O)c3C(=O)c3c(O)ccc(O)c32)[C@H](O)[C@@H](O)[C@@H]1O

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found in taxon

Aloe marlothii

1 reference

stated in

Chromones and anthrones from Aloe marlothii and Aloe rupestris

Identifiers

InChI

InChI=1S/C23H24O11/c1-8(25)33-7-14-19(29)21(31)22(32)23(34-14)16-10-4-9(6-24)5-13(28)15(10)20(30)18-12(27)3-2-11(26)17(16)18/h2-5,14,16,19,21-24,26-29,31-32H,6-7H2,1H3/t14-,16+,19-,21+,22-,23+/m1/s1

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InChIKey

YNTRKVVINRSNHR-STDMTGHSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YNTRKVVINRSNHR-STDMTGHSSA-N

(Q105351106)

[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[(9S)-1,4,5-trihydroxy-7-(hydroxymethyl)-10-oxo-9H-anthracen-9-yl]oxan-2-yl]methyl acetate

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Identifiers

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