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76-77-7

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76-77-7 Structure

76-77-7 Structure
IdentificationBack Directory
[Name]

Picrasa-2,12-diene-1,11-dione, 16-hydroxy-2,12-dimethoxy-
[CAS]

76-77-7
[Synonyms]

NEOQUASSIN
NSC-139168
Neoquassine
Nigakihemiacetal B
Simalikahemiacetal A
Neoquassine/Nigakihemiacetal B
Picrasa-2,12-diene-1,11-dione, 16-hydroxy-2,12-dimethoxy-
3a,4,5,6a,7,7a,8,11a,11b,11c-Decahydro-5-hydroxy-2,10-dimethoxy-3,8,11a,11c-tetramethylphenanthro[10,1-bc]pyran-1,11-dione
[Molecular Formula]

C22H30O6
[MDL Number]

MFCD31808254
[MOL File]

76-77-7.mol
[Molecular Weight]

390.47
Chemical PropertiesBack Directory
[Melting point ]

228℃
[alpha ]

D20 +41.0° (c = 4.98 in chloroform)
[density ]

1.24±0.1 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.626
[Major Application]

food and beverages
[InChIKey]

BDQNCUODBJZKIY-NUPPOKJBSA-N
[SMILES]

O1[C@H]2[C@@]3([C@@H]([C@@]4([C@H]([C@@H](C=C(C4=O)OC)C)C2)C)C(=O)C(=C([C@@H]3CC1O)C)OC)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Uses]

food and beverages
[Definition]

ChEBI: Nigakihemiacetal B is a quassinoid.
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