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1802-12-6

1802-12-6 Structure

1802-12-6 Structure
IdentificationBack Directory
[Name]

Phytolaccagenin
[CAS]

1802-12-6
[Synonyms]

Phytolaccagenine
Jaligonic acid 30-methyl ester
(4R,20S)-2β,3β,23-Trihydroxyolean-12-ene-28,30-dioic acid 30-methyl ester
Olean-12-ene-28,29-dioicacid, 2,3,23-trihydroxy-, 29-methyl ester, (2b,3b,4a,20b)-
Olean-12-ene-28,29-dioic acid, 2,3,23-trihydroxy-, 29-methyl ester, (2β,3β,4α,20β)-
(2beta,3beta,4alpha,20beta)-2,3,23-Trihydroxyolean-12-ene-28,29-dioic acid 29-methyl ester
2-carbomethoxy-10,11-dihydroxy-2,6a,6b,9,12a-pentamethyl-9-methylol-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
10,11-dihydroxy-9-(hydroxymethyl)-2-methoxycarbonyl-2,6a,6b,9,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
[Molecular Formula]

C31H48O7
[MDL Number]

MFCD09953799
[MOL File]

1802-12-6.mol
[Molecular Weight]

532.71
Chemical PropertiesBack Directory
[density ]

1.24
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in methan
[form ]

powder
[color ]

White
[Major Application]

food and beverages
[InChIKey]

CYJWWQALTIKOAG-KNOFDGTPNA-N
[SMILES]

OC1C(C2C(C3C(C4(CCC5(C(CC(CC5)(C)C(=O)OC)C4=CC3)C(=O)O)C)(CC2)C)(CC1O)C)(CO)C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P301+P312+P330
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

White powder, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from pokeweed.
[Uses]

Phytolaccagenin (CAS# 1802-12-6) is a saponin found in Phytolacca acinosa and Phytolacca americana species which have antiproliferative activities in humans.
Spectrum DetailBack Directory
[Spectrum Detail]

Phytolaccagenin(1802-12-6)1HNMR
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