Trichilin A (Q82991026)

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chemical compound

Language	Label	Description	Also known as
English	Trichilin A	chemical compound

Statements

type of chemical entity

0 references

[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15S,19R,20R,21S)-20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

(1S,4R,5R,6S,8R,10S,11S,12R,15R,19R,20R,21S)-20,21-bis(acetyloxy)-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0¹,¹⁴.0²,¹¹.0⁵,¹⁰.0⁸,¹⁰]henicosan-16-yl 2-methylbutanoate

1 reference

based on heuristic

inferred from SMILES

1 reference

based on heuristic

inferred from SMILES

674.293841532 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16R,19R,20R,21S)-20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] (2R)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

[(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,16S,19R,20R,21S)-20,21-diacetyloxy-6-(furan-3-yl)-4,12,19-trihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] (2R)-2-methylbutanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₅H₄₆O₁₃

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canonical SMILES

O=C(OC1C(O)C23COC(OC(=O)C(C)CC)C(C)(C1OC(=O)C)C3CC(O)C4(C)C2C(=O)C(O)C5(C)C(C6=COC=C6)CC7OC754)C

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isomeric SMILES

CC[C@@H](C)C(=O)OC1OC[C@]23[C@@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@@H](O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@@]312

0 references

Trichilia emetica

2 references

Limonoids showing selective toxicity to DNA repair-deficient yeast and other constituents of Trichilia emetica.

Trichilia emetica (Meliaceae) – A review of traditional uses, biological activities and phytochemistry

Identifiers

InChI=1S/C35H46O13/c1-8-15(2)29(42)47-30-31(5)20-12-21(38)33(7)25(34(20,14-44-30)27(41)24(45-16(3)36)28(31)46-17(4)37)23(39)26(40)32(6)19(18-9-10-43-13-18)11-22-35(32,33)48-22/h9-10,13,15,19-22,24-28,30,38,40-41H,8,11-12,14H2,1-7H3/t15-,19+,20+,21-,22-,24-,25+,26-,27+,28-,30?,31-,32-,33-,34+,35-/m1/s1

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AYBKFVIPPCLFDH-KPZLONJUSA-N

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CAS Registry Number

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1 reference

17 September 2022

based on heuristic

inferred from InChIKey

mapping relation type

1 reference

ChEBI release 2021-03-01

UniChem compound ID

1 reference

DSSTox substance ID

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DSSTOX compound identifier

DTXCID001425429

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Sitelinks

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Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(0 entries)

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