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7-O-Primverosylpseudobaptigenin

CAT: 0931-T83239-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T83239-01Size:5 mg
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CAS Number
224957-15-7
Bioactivity
7-O-Primverosylpseudobaptigenin, a natural product, can be isolated from the alcoholic extract of Amur maackia roots [1].
Smiles
O=C1C(=COC=2C1=CC=C(O[C@@H]3O[C@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)[C@H]3O)C2)C=5C=C6C(=CC5)OCO6
Molecular Formula
C27H28O14
Molecular Weight
576.5
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-O-Primverosylpseudobaptigenin
CAS Number224957-15-7
PubChem CID168007000
IUPAC Name3-(1,3-benzodioxol-5-yl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Molecular FormulaC27H28O14
Molecular Weight576.5
XLogP-1.2
Topological Polar Surface Area203
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity962
SMILES
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C=C3)C(=O)C(=CO4)C5=CC6=C(C=C5)OCO6)O)O)O)O)O)O
InChI
InChI=1S/C27H28O14/c28-15-8-36-26(24(33)21(15)30)37-9-19-22(31)23(32)25(34)27(41-19)40-12-2-3-13-17(6-12)35-7-14(20(13)29)11-1-4-16-18(5-11)39-10-38-16/h1-7,15,19,21-28,30-34H,8-10H2/t15-,19-,21+,22-,23+,24-,25-,26+,27-/m1/s1
InChIKey
POGLAVZYQJSCFH-MUCJXJSVSA-N
Chemical Structure
2D Structure
2D structure of 7-O-Primverosylpseudobaptigenin
CAS: 224957-15-7
CID: 168007000
Formula: C27H28O14
MW: 576.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight576.5
XLogP3-1.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass576.14790556
Monoisotopic Mass576.14790556
Topological Polar Surface Area203 Ų
Heavy Atom Count41
Formal Charge0
Complexity962
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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