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Pennogenin

CAT: 1410-M38804-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M38804-02Size:5 mg
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Description
Pennogenin steroidal saponins could be utilized to develop anticancer medicines.
CAS Number
507-89-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
430.629
Molecular Formula
C27H42O4
Notes
Research use only, not for human use.
Receptor
Other Targets

Chemical Information

Pennogenin

Pennogenin is an oxaspiro compound that is spirost-5-en substituted by hydroxy groups at positions 3 and 17 (3beta,25R stereoisomer). It has a role as a metabolite. It is a 3beta-hydroxy-Delta(5)-steroid, a sapogenin, a 17alpha-hydroxy steroid, an oxaspiro compound and an organic heterohexacyclic compound. It derives from a hydride of a spirostan.

CAS Number507-89-1
PubChem CID12314056
IUPAC Name(1R,2S,4S,5'R,6R,7S,8S,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-8,16-diol
Molecular FormulaC27H42O4
Molecular Weight430.6
XLogP4.4
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count31
Formal Charge0
Complexity794
SMILES
C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)O)C)OC1
InChI
InChI=1S/C27H42O4/c1-16-7-12-26(30-15-16)17(2)27(29)23(31-26)14-22-20-6-5-18-13-19(28)8-10-24(18,3)21(20)9-11-25(22,27)4/h5,16-17,19-23,28-29H,6-15H2,1-4H3/t16-,17-,19+,20-,21+,22+,23+,24+,25+,26-,27-/m1/s1
InChIKey
SYYHBUHOUUETMI-WJOMMTHPSA-N
Chemical Structure
2D Structure
2D structure of Pennogenin
CAS: 507-89-1
CID: 12314056
Formula: C27H42O4
MW: 430.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight430.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass430.30830982
Monoisotopic Mass430.30830982
Topological Polar Surface Area58.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity794
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

Alternative Products

CatalogName
MBS5779632Pennogenin
C01332-1mgPennogenin 3-O-β-chacotrioside
HY-N4180-01Pennogenin 3-O-beta-chacotrioside
A24309-10Pennogenin 3-O-beta-chacotrioside 10mg
A24309-50Pennogenin 3-O-beta-chacotrioside 50mg
A24309-1Pennogenin 3-O-beta-chacotrioside 1mg
A24309-5Pennogenin 3-O-beta-chacotrioside 5mg
AB0384Pennogenin-3-O-α-L-rhamnopyranosyl- (1→4) -[α-L-rhamnopyranosyl- (1→2) ]-β-D-glucopyranoside

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