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Chaetoglobosin Vb

CAT: 1410-M23555-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1410-M23555-04Size:25 mg
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Description
Chaetoglobosin Vb is a new cytochalasan alkaloid isolated from endophytic Chaetomium globosum.
CAS Number
1399690-75-5
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
528.64
Molecular Formula
C32H36N2O5
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

Chaetoglobosin Vb

Chaetoglobosin Vb is a member of indoles, a macrocycle and a cytochalasan alkaloid. It has a role as a Chaetomium metabolite.

CAS Number1399690-75-5
PubChem CID71768076
IUPAC Name(1R,4R,8R,9S,11E,13R,14S,17R,18S)-6,14-dihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatetracyclo[11.7.0.01,17.04,8]icosa-6,11,15-triene-2,5,20-trione
Molecular FormulaC32H36N2O5
Molecular Weight528.6
XLogP2.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity1180
SMILES
C[C@H]1C/C=C/[C@H]2[C@@H](C(=C([C@@H]3[C@@]2(C(=O)C[C@@H]4[C@@H]1C(=C(C4=O)O)C)C(=O)N[C@H]3CC5=CNC6=CC=CC=C65)C)C)O
InChI
InChI=1S/C32H36N2O5/c1-15-8-7-10-22-28(36)17(3)16(2)27-24(12-19-14-33-23-11-6-5-9-20(19)23)34-31(39)32(22,27)25(35)13-21-26(15)18(4)29(37)30(21)38/h5-7,9-11,14-15,21-22,24,26-28,33,36-37H,8,12-13H2,1-4H3,(H,34,39)/b10-7+/t15-,21+,22-,24-,26-,27-,28+,32+/m0/s1
InChIKey
PRTGSLLKDHOTJT-CIQYLYMDSA-N
Chemical Structure
2D Structure
2D structure of Chaetoglobosin Vb
CAS: 1399690-75-5
CID: 71768076
Formula: C32H36N2O5
MW: 528.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.6
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass528.26242225
Monoisotopic Mass528.26242225
Topological Polar Surface Area119 Ų
Heavy Atom Count39
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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