(Q105330654)

English

3,11-Dimethyl-5,10-dioxo-8-hydroxy-3beta,10abeta-epoxy-2,3,3aalpha,5,10,10a,11,11aalpha-octahydro-1H-cyclopenta[b]anthracene-11beta-carbaldehyde

chemical compound

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instance of

type of chemical entity

0 references

subclass of

(12R,13S,16R,18S)-5-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.0¹,¹⁰.0³,⁸.0¹²,¹⁶]octadeca-3,5,7,10-tetraene-18-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

5-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.0¹,¹⁰.0³,⁸.0¹²,¹⁶]octadeca-3,5,7,10-tetraene-18-carbaldehyde

1 reference

based on heuristic

inferred from SMILES

mass

338.115423676 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,12R,13S,16R,18S)-5-hydroxy-16,18-dimethyl-2,9-dioxo-17-oxapentacyclo[11.4.1.01,10.03,8.012,16]octadeca-3(8),4,6,10-tetraene-18-carbaldehyde

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₀H₁₈O₅

0 references

canonical SMILES

O=CC1(C)C2CCC3(OC41C(=O)C5=CC(O)=CC=C5C(=O)C4=CC23)C

0 references

isomeric SMILES

C[C@]1(C=O)[C@H]2CC[C@@]3(C)O[C@@]14C(=O)c1cc(O)ccc1C(=O)C4=C[C@@H]23

0 references

found in taxon

Stereospermum kunthianum

1 reference

stated in

Antiplasmodial activity of naphthoquinones and one anthraquinone from Stereospermum kunthianum

Identifiers

InChI

InChI=1S/C20H18O5/c1-18(9-21)13-5-6-19(2)14(13)8-15-16(23)11-4-3-10(22)7-12(11)17(24)20(15,18)25-19/h3-4,7-9,13-14,22H,5-6H2,1-2H3/t13-,14-,18-,19+,20-/m0/s1

0 references

InChIKey

XMDCRBHPCMHPQU-YJKZWKBDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XMDCRBHPCMHPQU-YJKZWKBDSA-N

1 reference

(Q105330654)

3,11-Dimethyl-5,10-dioxo-8-hydroxy-3beta,10abeta-epoxy-2,3,3aalpha,5,10,10a,11,11aalpha-octahydro-1H-cyclopenta[b]anthracene-11beta-carbaldehyde

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