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5945-86-8

Basic Information
CAS No.: 5945-86-8
Name: NIMBIN
Molecular Structure:
Molecular Structure of 5945-86-8 (NIMBIN)
Formula: C30H36 O9
Molecular Weight: 540.61
Synonyms: 18,24-Dinor-11,12-secochola-2,13,20,22-tetraene-4,11-dicarboxylicacid, 6-(acetyloxy)-7,15:21,23-diepoxy-4,8-dimethyl-1-oxo-, dimethyl ester, (4a,5a,6a,7a,15b,17a)-; 2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 6a-carboxy-2a-(3-furyl)-3,3aa,4ab,5,5aa,6,9,9a,10a,10a-decahydro-5a-hydroxy-1,6,9ab,10ab-tetramethyl-9-oxo-, dimethyl ester, acetate (8CI);2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 6b-carboxy-2a-(3-furyl)-3,3ab,4ab,5,5aa,6,9,9a,10,10a-decahydro-5a-hydroxy-1,6,9ab,10ab-tetramethyl-9-oxo-, dimethylester, acetate (7CI); Nimbin (6CI);2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid,5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-,methyl ester, [2R-(2a,3aa,4ab,5a,5aa,6a,9ab,10b,10ab)]-
Density: 1.27g/cm3
Melting Point: 197-199oC (dec.)
Boiling Point: 606.1oC at 760 mmHg
Flash Point: 320.4oC
PSA: 118.34000
LogP: 3.92240
Synthetic route
5945-86-8

Nimbin

7585-39-9

fipronilβ-cyclodextrin

1240044-25-0

C30H36O9*C42H70O35

Conditions
ConditionsYield
In ethanol; water at 20℃; for 120h;91%
770728-81-9

2,2',2'',2''',2'''',2''''',2''''''-heptakis(O-(2-hydroxypropyl))-β-cyclodextrin

5945-86-8

Nimbin

1240044-29-4

C30H36O9*C63H112O42

Conditions
ConditionsYield
In ethanol; water at 20℃; for 120h;90%
51166-71-3

heptakis(2,6-di-O-methyl)cyclomaltoheptaose

5945-86-8

Nimbin

1240044-32-9

C30H36O9*C56H98O35

Conditions
ConditionsYield
In ethanol; water at 20℃; for 120h;82%
5945-86-8

Nimbin

55216-11-0

2,3,6-trimethyl-beta-cyclodextrin

1240044-34-1

C30H36O9*C63H112O35

Conditions
ConditionsYield
In ethanol; water at 20℃; for 120h;80%
5945-86-8

Nimbin

nimbinlactone

Conditions
ConditionsYield
With N-Bromosuccinimide In methanol for 0.00416667h; microwave irradiation;76%
5945-86-8

Nimbin

18609-16-0

6-De-O-acetylnimbin

Conditions
ConditionsYield
With ethylenediamine In methanol for 0.116667h; Microwave irradiation;75%
5945-86-8

Nimbin

A

78916-55-9

6-deacetylnimbinene

B

7,15;21,23-diepoxy-6-hydroxy-4,8-dimethyl-1-oxo-12,13-seco-24-nor-chola-2,13,20,22-tetraen-12-oic acid methyl ester

Conditions
ConditionsYield
With potassium hydroxide Behandeln des erhaltenen Saeure-Gemisches mit Diazomethan in Aether; stereoisomer(ic) of mp: 158-160 degree;
With potassium hydroxide Behandeln des erhaltenen Saeure-Gemisches mit Diazomethan in Aether; stereoisomer(ic) of mp: 153-154 degree;
5945-86-8

Nimbin

7α,15β;21,23-diepoxy-6α-hydroxy-4β,8-dimethyl-1-oxo-11,13-seco-C,24-dinor-5α,17βH-chola-2,13,20,22-tetraene-4α,11-dicarboxylic acid

Conditions
ConditionsYield
With potassium hydroxide
5945-86-8

Nimbin

5866-30-8

7α,15β;21,23-diepoxy-6α-hydroxy-4β,8-dimethyl-1-oxo-11,13-seco-C,24-dinor-5α,17βH-chola-2,13,20,22-tetraene-4α,11-dicarboxylic acid-4-methyl ester

Conditions
ConditionsYield
With potassium hydroxide
With methanol; potassium hydrogencarbonate
5945-86-8

Nimbin

4801-85-8

6α-acetoxy-7α,15β;21,23-diepoxy-4β,8-dimethyl-1-oxo-11,13-seco-C,24-dinor-5α,17βH,20ξH-chol-13-ene-4α,11-dicarboxylic acid dimethyl ester

Conditions
ConditionsYield
With methanol; palladium on activated charcoal Hydrogenation;
With palladium on activated charcoal; ethyl acetate Hydrogenation;
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