Mudanpioside C

CAT: 0013-GTR19155933-02Size: 200 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19155933-02Size:200 mg

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Description

Mudanpioside C is a natural product from Paeonia lactiflora Pall.

CAS Number

172760-03-1

Purity

>98% (HPLC)

Smiles

C[C@]12C[C@@]3 ([C@@H]4C[C@]1 ([C@@]4 ([C@H] (O2) O3) COC (=O) C5=CC=CC=C5) O[C@H]6[C@@H] ([C@H] ([C@@H] ([C@H] (O6) COC (=O) C7=CC=C (C=C7) O) O) O) O) O

Molecular Formula

C30H32O13

Molecular Weight

600.57

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

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 Number	172760-03-1
PubChem CID	46882880
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 Formula	C30H32O13
Molecular Weight	600.6
XLogP	0.3
Topological Polar Surface Area	191
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Heavy Atom Count	43
Formal Charge	0
Complexity	1110

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

CAS: 172760-03-1

CID: 46882880

Formula: C30H32O13

MW: 600.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	600.6
XLogP3	0.3
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	10
Exact Mass	600.18429107
Monoisotopic Mass	600.18429107
Topological Polar Surface Area	191 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1110
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TN5856	Mudanpioside J
MBS3613441-01	Mudanpioside C
MBS5761105	Mudanpioside H
371700	Mudanpioside C discontinued

Mudanpioside C

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