(Q27135767)

English

3-deacetylsalannin

chemical compound

In more languages

Statements

type of chemical entity

0 references

ring-cleaved tetranortriterpenoid

0 references

554.287968±0 dalton

1 reference

language of work or name

Deacetylsalannin (English)

7 October 2016

stereoisomer of

[(1R,2S,4R,6R,9R,10R,11R,12S,14S,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (E)-2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] 2-methylbut-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(1R,2S,4R,6R,9R,10R,11R,12S,14R,15R,18R)-6-(furan-3-yl)-14-hydroxy-10-(2-methoxy-2-oxoethyl)-7,9,11,15-tetramethyl-3,17-dioxapentacyclo[9.6.1.02,9.04,8.015,18]octadec-7-en-12-yl] (Z)-2-methylbut-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₂H₄₂O₈

1 reference

language of work or name

Deacetylsalannin (English)

7 October 2016

canonical SMILES

CC=C(C)C(=O)OC1CC(C2(COC3C2C1(C(C4(C3OC5C4=C(C(C5)C6=COC=C6)C)C)CC(=O)OC)C)C)O

1 reference

language of work or name

Deacetylsalannin (English)

7 October 2016

isomeric SMILES

C/C=C(\C)/C(=O)O[C@H]1C[C@H]([C@]2(CO[C@@H]3[C@@H]2[C@]1([C@H]([C@]4([C@@H]3O[C@H]5C4=C([C@@H](C5)C6=COC=C6)C)C)CC(=O)OC)C)C)O

1 reference

language of work or name

Deacetylsalannin (English)

7 October 2016

Azadirachta indica

8 references

An isoprenylated flavanone from leaves of Azadirachta indica

Rapid separation of triterpenoids from Neem seed extracts

Several Antifeedants from Neem Oil,Azadirachta indicaA. Juss., againstReticulitermes speratusKolbe (Isoptera: Rhinotermitidae)

Nimbolide is the Principal Cytotoxic Component of Neem-Seed Insecticide Preparations

Structure of deacetylazadirachtinol application of 2D1H-1H and 1H-13C shift correlation spectroscopy

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

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

Biocatalyst-mediated efficient functionalization of ring A in salannin, a tetranortriterpene from Azadirachta indica

Melia azedarach

5 references

Limonoids from Melia azedarach

Melianolide, a New Limonoid of Biogenetic Interest, from Chinese Melia azedarach L.

Melianolide, a New Limonoid of Biogenetic Interest, from Chinese Melia azedarach L.

Limonoids from Melia azedarach

Ring C-seco limonoids from Melia toosendan

Identifiers

InChI=1S/C32H42O8/c1-8-16(2)29(35)40-23-13-22(33)30(4)15-38-26-27(30)31(23,5)21(12-24(34)36-7)32(6)25-17(3)19(18-9-10-37-14-18)11-20(25)39-28(26)32/h8-10,14,19-23,26-28,33H,11-13,15H2,1-7H3/b16-8+/t19-,20-,21-,22-,23+,26-,27+,28-,30-,31+,32-/m1/s1

1 reference

language of work or name

Deacetylsalannin (English)

7 October 2016

MJNRBOGIPLCVIM-LJEOTECVSA-N

2 references

language of work or name

Deacetylsalannin (English)

7 October 2016

ChEBI release 2020-09-01

CAS Registry Number

2 references

language of work or name

3-deacetylsalannin (English)

7 October 2016

MJNRBOGIPLCVIM-LJEOTECVSA-N

CAS Common Chemistry

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1110-56-1

1 reference

language of work or name

(2aR,3R,5S,5aR,6R,6aR,8R,9aR,10aS,10bR,10cR)-8-(3-Furyl)-3-hydroxy-6-(2-methoxy-2-oxoethyl)-2a,5a,6a,7-tetramethyl-2a,4,5,5a,6,6a,8,9,9a,10a,10b,10c-dodecahydro-2H,3H-cyclopenta[b]furo[2',3',4':4,5]na (English)

7 October 2016

2 references

language of work or name

Deacetylsalannin (English)

7 October 2016

matched by identifier from

MJNRBOGIPLCVIM-LJEOTECVSA-N

Reaxys registry number

7675507

1 reference

language of work or name

3-deacetylsalannin (English)

7 October 2016

mapping relation type

2 references

language of work or name

3-deacetylsalannin (English)

7 October 2016

matched by identifier from

International Chemical Identifier

InChI=1S/C32H42O8/c1-8-16(2)29(35)40-23-13-22(33)30(4)15-38-26-27(30)31(23,5)21(12-24(34)36-7)32(6)25-17(3)19(18-9-10-37-14-18)11-20(25)39-28(26)32/h8-10,14,19-23,26-28,33H,11-13,15H2,1-7H3/b16-8+/t19-,20-,21-,22-,23+,26-,27+,28-,30-,31+,32-/m1/s1

1 reference

language of work or name

DESACETYL SALANNIN (English)

7 October 2016

UniChem compound ID

1 reference

DSSTox substance ID

DTXSID201316747

1 reference

matched by identifier from

MJNRBOGIPLCVIM-LJEOTECVSA-N

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

MJNRBOGIPLCVIM-LJEOTECVSA-N

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