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Mudanpioside C

CAT: 1410-M23779-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M23779-02Size:1 mL x 10 mM in DMSO
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Description
Mudanpioside C is a natural product from Paeonia lactiflora Pall.
CAS Number
172760-03-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
600.57
Molecular Formula
C30H32O13
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Mudanpioside C

[(1R,2S,3S,5S,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate has been reported in Paeonia suffruticosa with data available.

CAS Number172760-03-1
PubChem CID46882880
IUPAC Name[(1R,2S,3S,5S,6R,8S)-3-[(2S,3R,4S,5S,6R)-6-(benzoyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-hydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl 4-hydroxybenzoate
Molecular FormulaC30H32O13
Molecular Weight600.6
XLogP0.3
Topological Polar Surface Area191
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1110
SMILES
C[C@]12C[C@@]3([C@H]4C[C@@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=C(C=C5)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)COC(=O)C7=CC=CC=C7)O)O)O)O
InChI
InChI=1S/C30H32O13/c1-27-13-29(37)19-11-30(27,28(19,26(42-27)43-29)14-39-24(36)16-7-9-17(31)10-8-16)41-25-22(34)21(33)20(32)18(40-25)12-38-23(35)15-5-3-2-4-6-15/h2-10,18-22,25-26,31-34,37H,11-14H2,1H3/t18-,19+,20-,21+,22-,25+,26-,27+,28+,29-,30-/m1/s1
InChIKey
VIWQCBZFJFSCLC-QFZPXPOBSA-N
Chemical Structure
2D Structure
2D structure of Mudanpioside C
CAS: 172760-03-1
CID: 46882880
Formula: C30H32O13
MW: 600.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight600.6
XLogP30.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count13
Rotatable Bond Count10
Exact Mass600.18429107
Monoisotopic Mass600.18429107
Topological Polar Surface Area191 Ų
Heavy Atom Count43
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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