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27994-11-2

27994-11-2 Structure

27994-11-2 Structure
IdentificationBack Directory
[Name]

CIMIGENOL 3-O-BETA-D-XYLOPYRANOSIDE
[CAS]

27994-11-2
[Synonyms]

Cimigeside
CiMigoside
CIMIGENOSIDE
CIMIGENOL XYLOSIDE
CiMicifugol xyloside
Cimigenol-3-O-xyloside
Cimigenol 3- -D-xyloside
CiMigenol 3-O-β-D-xyloside
CiMigenol 3-β-D-xylopyranoside
cimigenol3-O-β-D-xylopyranoside
CiMigenol 3-O-β-D-xylopyranoside
CiMigenol 3-beta-D-xylopyranoside
CIMIGENOL 3-O-BETA-D-XYLOPYRANOSIDE
cimigenol-3-O-β-D-xylopyranoside (23R,24S)
b-D-Xylopyranoside, (3b,15a,16a,23R,24S)-16,23:16,24-diepoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl
β-D-Xylopyranoside, (3β,15α,16α,23R,24S)-16,23:16,24-diepoxy-15,25-dihydroxy-9,19-cyclolanostan-3-yl
[Molecular Formula]

C35H56O9
[MDL Number]

MFCD04039818
[MOL File]

27994-11-2.mol
[Molecular Weight]

620.81
Chemical PropertiesBack Directory
[Melting point ]

269-271 °C
[Boiling point ]

740.3±60.0 °C(Predicted)
[density ]

1.32±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Soluble in methanol;
[form ]

powder
[pka]

13.03±0.70(Predicted)
[color ]

White
[Water Solubility ]

sparingly soluble in water
[Major Application]

food and beverages
[InChIKey]

GQLUAQZLAZUHEL-NKMZKCBCSA-N
[SMILES]

O1[C@H]([C@@H]([C@H]([C@@H](C1)O)O)O)OC2C([C@H]3[C@@]4([C@]5(C4)CC[C@]6([C@@](CC7OC8(OC(C9(OC98)C)O)C[C@H](C76)C)(C5=CC3)C)C)CC2)(C)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Chemical Properties]

Off-white crystals, soluble in organic solvents such as methanol, ethanol, and DMSO, derived from the rhizome of the iron pine needle.
[Uses]

Cimigenoside exhibits cytotoxicity against five human tumor cell lines.
[Definition]

ChEBI: Cimigenol 3-O-beta-D-xylopyranoside is a cucurbitacin and a glycoside. It has a role as a metabolite.
Spectrum DetailBack Directory
[Spectrum Detail]

CIMIGENOL 3-O-BETA-D-XYLOPYRANOSIDE(27994-11-2)1HNMR
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