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Ginsenoside mc

CAT: 0926-AHA48406-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-AHA48406-02Size:50 mg
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CAS Number
175484-06-7
Smiles
CC (=CCCC (C) (C1CCC2 (C1C (CC3C2 (CCC4C3 (CCC (C4 (C) C) O) C) C) O) C) OC5C (C (C (C (O5) COC6C (C (C (O6) CO) O) O) O) O) O) C
Molecular Formula
C41H70O12
Molecular Weight
755 g/mol
Controlled
No

Chemical Information

ginsenoside Mc

Ginsenoside Mc is a ginsenoside found in Panax notoginseng that is dammarane which is substituted by hydroxy groups at the 3beta, 12beta and 20 pro-S positions and in which the hydroxy group at position 20 has been converted to the corresponding alpha-L-arabinofuranosyl-beta-D-glucopyranoside. It has a role as an antineoplastic agent, a plant metabolite and a human xenobiotic metabolite. It is a 3beta-hydroxy-4,4-dimethylsteroid, a beta-D-glucoside, a tetracyclic triterpenoid, a disaccharide derivative and a ginsenoside. It is functionally related to a (20S)-protopanaxadiol. It derives from a hydride of a dammarane.

CAS Number175484-06-7
PubChem CID9896928
IUPAC Name(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(2S)-2-[(3S,5R,8R,9R,10R,12R,13R,14R,17S)-3,12-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-methylhept-5-en-2-yl]oxyoxane-3,4,5-triol
Molecular FormulaC41H70O12
Molecular Weight755.0
XLogP4.1
Topological Polar Surface Area199
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Heavy Atom Count53
Formal Charge0
Complexity1320
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)C)O)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H](O6)CO)O)O)O)O)O)C
InChI
InChI=1S/C41H70O12/c1-21(2)10-9-14-41(8,53-36-34(49)32(47)31(46)25(52-36)20-50-35-33(48)30(45)24(19-42)51-35)22-11-16-40(7)29(22)23(43)18-27-38(5)15-13-28(44)37(3,4)26(38)12-17-39(27,40)6/h10,22-36,42-49H,9,11-20H2,1-8H3/t22-,23+,24-,25+,26-,27+,28-,29-,30-,31+,32-,33+,34+,35+,36-,38-,39+,40+,41-/m0/s1
InChIKey
CJFGBCWGOQRURQ-JFJIKBJRSA-N
Chemical Structure
2D Structure
2D structure of ginsenoside Mc
CAS: 175484-06-7
CID: 9896928
Formula: C41H70O12
MW: 755.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight755.0
XLogP34.1
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count10
Exact Mass754.48672766
Monoisotopic Mass754.48672766
Topological Polar Surface Area199 Ų
Heavy Atom Count53
Formal Charge0
Complexity1320
Isotope Atom Count0
Defined Atom Stereocenter Count19
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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OG31928-01Ginsenoside Rh4
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FG106405-01Ginsenoside F11
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Alternative Products

CatalogName
300355Ginsenoside Rg3 (20 (s) -Ginsenoside Rg3)
300354Ginsenoside Rg2 (20 (s) -Ginsenoside Rg2)
N1613-5.1Ginsenoside Rg1
N1619-20Ginsenoside Rb2
CS-BS-00118Ginsenoside F1
HY-N11226Ginsenoside Ra0
HY-N0906-01Ginsenoside Rk3
TN1094-01Ginsenoside Rg6
048650Ginsenoside Rs3
HY-N0043-01Ginsenoside Rd

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