(Q27135764)

English

28-deoxonimbolide

chemical compound

In more languages

Statements

type of chemical entity

0 references

methyl 2-[(1R,2S,4R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.0²,⁹.0⁴,⁸.0¹⁵,¹⁸]octadeca-7,13-dien-10-yl]acetate

1 reference

based on heuristic

inferred from SMILES

452.219889±0 dalton

1 reference

language of work or name

CHEBI:67307 (English)

7 October 2016

stereoisomer of

methyl 2-[(1R,2S,4R,6R,9R,10S,11R,15S,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

1 reference

based on heuristic

inferred from InChI

methyl 2-[(1R,2S,4S,6R,9R,10S,11R,15R,18R)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

1 reference

based on heuristic

inferred from InChI

methyl 2-[(1R,2S,4S,6R,9R,10S,11R,15R,18S)-6-(furan-3-yl)-7,9,11,15-tetramethyl-12-oxo-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadeca-7,13-dien-10-yl]acetate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₇H₃₂O₆

1 reference

language of work or name

CHEBI:67307 (English)

7 October 2016

canonical SMILES

CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OCC6(C=CC5=O)C)C)CC(=O)OC)C

1 reference

language of work or name

CHEBI:67307 (English)

7 October 2016

isomeric SMILES

CC1=C2[C@@H](C[C@H]1C3=COC=C3)O[C@H]4[C@@]2([C@@H]([C@@]5([C@H]6[C@H]4OC[C@@]6(C=CC5=O)C)C)CC(=O)OC)C

1 reference

language of work or name

CHEBI:67307 (English)

7 October 2016

Azadirachta indica

3 references

Cytotoxic and apoptosis-inducing activities of limonoids from the seeds of Azadirachta indica (neem).

Chemical characterization of Azadirachta indica grafted on Melia azedarach and analyses of azadirachtin by HPLC-MS-MS (SRM) and meliatoxins by MALDI-MS.

Tetranortriterpenoids related to nimbin and nimbolide from Azadirachta indica A. Juss (Meliaceae)

Identifiers

InChI=1S/C27H32O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h6-9,12,16-18,22-24H,10-11,13H2,1-5H3/t16-,17-,18-,22-,23+,24-,25+,26+,27-/m1/s1

1 reference

language of work or name

CHEBI:67307 (English)

7 October 2016

CWGBIWRWBCYASK-LMHNVORZSA-N

2 references

language of work or name

CHEBI:67307 (English)

7 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

28-deoxonimbolide (English)

7 October 2016

CWGBIWRWBCYASK-LMHNVORZSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=126005-94-5

1 reference

language of work or name

Methyl [(2aR,5aR,6S,6aR,8R,9aR,10aS,10bR,10cS)-8-(3-furyl)-2a,5a,6a,7-tetramethyl-5-oxo-2a,5a,6,6a,8,9,9a,10a,10b,10c-decahydro-2H,5H-cyclopenta[b]furo[2',3',4':4,5]naphtho[2,3-d]furan-6-yl]acetate (English)

7 October 2016

2 references

language of work or name

CHEBI:67307 (English)

7 October 2016

matched by identifier from

CWGBIWRWBCYASK-LMHNVORZSA-N

Reaxys registry number

21448575

1 reference

language of work or name

28-deoxonimbolide (English)

7 October 2016

mapping relation type

2 references

language of work or name

28-deoxonimbolide (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C27H32O6/c1-14-16(15-7-9-31-12-15)10-17-21(14)27(4)18(11-20(29)30-5)26(3)19(28)6-8-25(2)13-32-22(23(25)26)24(27)33-17/h6-9,12,16-18,22-24H,10-11,13H2,1-5H3/t16-,17-,18-,22-,23+,24-,25+,26+,27-/m1/s1

1 reference

language of work or name

CHEMBL485455 (English)

7 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

0 references

DSSTOX compound identifier

DTXCID201354202

0 references

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