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Notoginsenoside Fe

CAT: 0013-GTR19159298-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19159298-02Size:200 mg
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Description
Notoginsenoside Fe is a natural compound isolated from Panax japlcus var.
CAS Number
88105-29-7
Product Name Alternative
Notoginseng triterpenes | Ginsenoside Mb
Purity
>98% (HPLC)
Solubility
In Vitro: H2O : 50 mg/mL (54.52 mM)
Smiles
O[C@@H]7[C@@H] (O) [C@H] (O) [C@@H] (CO) O[C@H]7O[C@H]6CC[C@@]1 (C) [C@@H] (CC[C@@]2 (C) [C@]3 (C) CC[C@@H] ([C@H]3[C@H] (O) C[C@H]12) [C@] (C) (CC\C=C (/C) C) O[C@@H]5O[C@H] (CO[C@@H]4O[C@@H] (CO) [C@H] (O) [C@H]4O) [C@@H] (O) [C@H] (O) [C@H]5O) [C@]6 (C) C
Molecular Formula
C47H80O17
Molecular Weight
917.14
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Notoginsenoside Fe

Notoginsenoside Fe is a triterpenoid.

CAS Number88105-29-7
PubChem CID90657714
IUPAC Name(2R,3R,4S,5S,6R)-2-[[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-17-[(2S)-2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-6-methylhept-5-en-2-yl]-12-hydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular FormulaC47H80O17
Molecular Weight917.1
XLogP2.5
Topological Polar Surface Area278
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Heavy Atom Count64
Formal Charge0
Complexity1630
SMILES
CC(=CCC[C@@](C)([C@H]1CC[C@@]2([C@@H]1[C@@H](C[C@H]3[C@]2(CC[C@@H]4[C@@]3(CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)O)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO[C@H]7[C@@H]([C@H]([C@@H](O7)CO)O)O)O)O)O)C
InChI
InChI=1S/C47H80O17/c1-22(2)10-9-14-47(8,64-42-39(58)36(55)34(53)27(62-42)21-59-40-37(56)33(52)26(20-49)60-40)23-11-16-46(7)31(23)24(50)18-29-44(5)15-13-30(43(3,4)28(44)12-17-45(29,46)6)63-41-38(57)35(54)32(51)25(19-48)61-41/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26-,27+,28-,29+,30-,31-,32+,33-,34+,35-,36-,37+,38+,39+,40+,41-,42-,44-,45+,46+,47-/m0/s1
InChIKey
MYBAONSAUGZRAX-UBQYYSLZSA-N
Chemical Structure
2D Structure
2D structure of Notoginsenoside Fe
CAS: 88105-29-7
CID: 90657714
Formula: C47H80O17
MW: 917.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight917.1
XLogP32.5
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count17
Rotatable Bond Count13
Exact Mass916.53955108
Monoisotopic Mass916.53955108
Topological Polar Surface Area278 Ų
Heavy Atom Count64
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TN8618Notoginsenoside A
HY-N16751Notoginsenoside D
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TN1105Notoginsenoside S
T5761-01Notoginsenoside Ft1
TN8463-01Notoginsenoside FP1
300694Notoginsenoside R1
300692Notoginsenoside Fd
HY-N10151-01Notoginsenoside R3

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