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Lactiflorin

CAT: 0013-GTR19156217-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19156217-04Size:1 g
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Description
Lactiflorin is a monoterpene glycoside from paeony root. Lactiflorin possesses nephroprotective effect.
CAS Number
1361049-59-3
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (216.24 mM)
Smiles
O=C (C1=CC=CC=C1) OC[C@]2 ([C@] (C3) ([H]) O4) [C@@] (C[C@@]2 ([H]) C3=O) (O[C@@] (O[C@@H]5CO) ([H]) [C@] ([C@H] ([C@@H]5O) O) ([H]) O6) [C@@]64C
Molecular Formula
C23H26O10
Molecular Weight
462.45
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

(+)-Lactiflorin

Lactiflorin is an organic heteropentacyclic compound with formula C23H26O10, isolated from several species of Paeoniae. It has a role as a plant metabolite. It is a bridged compound, a benzoate ester, an organic heteropentacyclic compound, a cyclic ketone and a cyclic ketal.

CAS Number1361049-59-3
PubChem CID14605198
IUPAC Name[(1R,3S,5R,6S,7S,8R,10R,12R,15R,17R)-6,7-dihydroxy-5-(hydroxymethyl)-10-methyl-14-oxo-2,4,9,11-tetraoxapentacyclo[10.4.1.01,10.03,8.015,17]heptadecan-17-yl]methyl benzoate
Molecular FormulaC23H26O10
Molecular Weight462.4
XLogP-0.5
Topological Polar Surface Area141
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity843
SMILES
C[C@@]12[C@]3(C[C@@H]4[C@]3([C@H](O1)CC4=O)COC(=O)C5=CC=CC=C5)O[C@H]6[C@H](O2)[C@H]([C@@H]([C@H](O6)CO)O)O
InChI
InChI=1S/C23H26O10/c1-21-23(33-20-18(32-21)17(27)16(26)14(9-24)30-20)8-12-13(25)7-15(31-21)22(12,23)10-29-19(28)11-5-3-2-4-6-11/h2-6,12,14-18,20,24,26-27H,7-10H2,1H3/t12-,14+,15+,16+,17-,18+,20-,21+,22-,23-/m0/s1
InChIKey
AGRYIZUKIKYUFX-DNITZUGTSA-N
Chemical Structure
2D Structure
2D structure of (+)-Lactiflorin
CAS: 1361049-59-3
CID: 14605198
Formula: C23H26O10
MW: 462.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.4
XLogP3-0.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass462.15259702
Monoisotopic Mass462.15259702
Topological Polar Surface Area141 Ų
Heavy Atom Count33
Formal Charge0
Complexity843
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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