ChemicalBook--->CAS DataBase List--->98891-41-9

98891-41-9

98891-41-9 Structure

98891-41-9 Structure
IdentificationBack Directory
[Name]

Pseudolaric acid B-glucopyranoside
[CAS]

98891-41-9
[Synonyms]

Pseudolaric acid B β-D-glucoside
Pseudolaric acid B-glucopyranoside
Pseudolaric acid B beta-D-glucoside
Pseudolaric acid B-O-β-D- glucopyranoside
β-D-Glucopyranose, 1-[(2E,4E)-5-[(3R,4S,4aS,9aR)-4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-7-(methoxycarbonyl)-3-methyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-2,4-pentadienoate]
[Molecular Formula]

C29H38O13
[MDL Number]

MFCD22124713
[MOL File]

98891-41-9.mol
[Molecular Weight]

594.6
Chemical PropertiesBack Directory
[Boiling point ]

766.5±60.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3 (20 ºC 760 Torr)
[storage temp. ]

2-8°C
[form ]

Solid
[pka]

12.52±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

UUDZDKPKXAEKLA-YHLOYHKPSA-N
[SMILES]

O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC(=O)\C(=C\C=C\[C@]2(OC(=O)[C@]43[C@@]([C@H]2CC4)(CCC(=CC3)C(=O)OC)OC(=O)C)C)\C
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Skull and Crossbones (GHS06)
GHS08,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P264-P270-P301+P310-P321-P330-P405-P501
[WGK Germany ]

WGK 3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Repr. 2
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder, soluble in organic solvents such as methanol, ethanol, and DMSO. It is derived from the root bark of Pseudolarix kamepferi Gord; Pseudolarix amabilis (Nelson) Rehd.
[Uses]

Pseudolaric Acid B O-β-D-Glucopyranoside is a metabolites of diterpene acid isolated from Pseudolarix kaempferi. A cytotoxic agent and a potential antifungal agent.
Spectrum DetailBack Directory
[Spectrum Detail]

Pseudolaric acid B-glucopyranoside(98891-41-9)1HNMR
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