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Isospinosin

CAT: 1410-M32291-01Size: 1 EachDry Ice: NoHazardous: No
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Description
The leaves of Crataegus pinnatifida Bunge.
CAS Number
89701-83-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
608.6
Molecular Formula
C28H32O15
Notes
Research use only, not for human use.
Receptor
——

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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