ChemicalBook--->CAS DataBase List--->1063-77-0

1063-77-0

1063-77-0 Structure

1063-77-0 Structure
IdentificationBack Directory
[Name]

Nomilin
[CAS]

1063-77-0
[Synonyms]

NOMILIN
NOMILIN(P)
NOMILIN(RG)
Nomilin (~85%)
fromcitrusseeds
NOMILIN(P)(CALL)
Nomilin USP/EP/BP
NoMilin, froM Rutaceae
Nomilin, 98.5%, from Rutaceae
1-(Acetyloxy)-1,2-dihydroobacunoic acid ε-lactone
1-(Acetyloxy)-1,2-dihydroobacunoic acid epislon-lactone
(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-1-(Furan-3-yl)-4b,7,7,11a,13a-pentamethyl-3,5,9-trioxohexadecahydrooxepino[4',3':3,4]benzo[1,2-f]oxireno[2,3-d]isochromen-11-yl acetate
(1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-11-(Acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyloxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione
Oxireno[4,4a]-2-benzopyrano[6,5-g][2]benzoxepin-3,5,9(3aH,4bH,6H)-trione, 11-(acetyloxy)-1-(3-furanyl)decahydro-4b,7,7,11a,13a-pentamethyl-, (1S,3aS,4aR,4bR,6aR,11S,11aR,11bR,13aS)-
[Molecular Formula]

C28H34O9
[MDL Number]

MFCD00075979
[MOL File]

1063-77-0.mol
[Molecular Weight]

514.56
Chemical PropertiesBack Directory
[Melting point ]

278-279°
[alpha ]

D23 -95.7°
[Boiling point ]

657.7±55.0 °C(Predicted)
[density ]

1.33±0.1 g/cm3(Predicted)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Acetone (Slightly), Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

neat
[color ]

White to Off-White
[InChIKey]

KPDOJFFZKAUIOE-WNGDLQANSA-N
[SMILES]

O1C(C)(C)[C@]2([H])CC(=O)[C@@]3(C)[C@@]45O[C@]4([H])C(=O)O[C@@H](C4C=COC=4)[C@]5(C)CC[C@]3([H])[C@@]2(C)[C@@H](OC(C)=O)CC1=O
Safety DataBack Directory
[Safety Statements ]

24/25
[WGK Germany ]

3
[HS Code ]

29322090
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Nomilin(1063-77-0).msds
Hazard InformationBack Directory
[Chemical Properties]

Yellow powder
[Uses]

Induces phase II detoxifying enzymes and inhibits chemically induced carcinogenesis. Exhibits immunomodulatory activity and also inhibits HIV-1 replication. Does not possess any inherent antioxidant capacity.
[Definition]

ChEBI: Nomilin is a limonoid.
Spectrum DetailBack Directory
[Spectrum Detail]

Nomilin(1063-77-0)MS
Nomilin(1063-77-0)1HNMR
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