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Isospinosin

CAT: 0013-GTR19237062-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237062-01Size:50 mg
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Description
The leaves of Crataegus pinnatifida Bunge.
CAS Number
89701-83-7
Purity
>98% (HPLC)
Solubility
DMSO, Pyridine, Methanol, Ethanol, etc.
Molecular Formula
C28H32O15
Molecular Weight
608.6
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Isospinosin

Isospinosin has been reported in Ziziphus jujuba, Galipea trifoliata, and other organisms with data available.

CAS Number89701-83-7
PubChem CID11801844
IUPAC Name8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
Molecular FormulaC28H32O15
Molecular Weight608.5
XLogP-1.1
Topological Polar Surface Area245
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity987
SMILES
COC1=C(C2=C(C(=C1)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O
InChI
InChI=1S/C28H32O15/c1-39-15-7-13(33)18-12(32)6-14(10-2-4-11(31)5-3-10)40-25(18)19(15)26-27(23(37)21(35)16(8-29)41-26)43-28-24(38)22(36)20(34)17(9-30)42-28/h2-7,16-17,20-24,26-31,33-38H,8-9H2,1H3/t16-,17-,20-,21-,22+,23+,24-,26+,27-,28+/m1/s1
InChIKey
XSAFLFYGYGKUKQ-QGTQAJIUSA-N
Chemical Structure
2D Structure
2D structure of Isospinosin
CAS: 89701-83-7
CID: 11801844
Formula: C28H32O15
MW: 608.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight608.5
XLogP3-1.1
Hydrogen Bond Donor Count9
Hydrogen Bond Acceptor Count15
Rotatable Bond Count7
Exact Mass608.17412031
Monoisotopic Mass608.17412031
Topological Polar Surface Area245 Ų
Heavy Atom Count43
Formal Charge0
Complexity987
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

Alternative Products

CatalogName
T123977-01Isospinosin

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