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Chaetoglobosin F

CAT: 0862-GW6792-1mgSize: 1 mgDry Ice: NoHazardous: No
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CAT#:0862-GW6792-1mgSize:1 mg
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CAS Number
55945-75-0
Storage Conditions
+4°C
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Chemical Information

Chaetoglobosin F

Chaetoglobosin F is a cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine. It has a role as an antineoplastic agent and a Chaetomium metabolite. It is a secondary alpha-hydroxy ketone, a member of indoles, an epoxide, a macrocycle and a cytochalasan alkaloid.

CAS Number55945-75-0
PubChem CID23259927
IUPAC Name(1R,5S,7E,9S,11E,13R,14S,16R,17S,18R,19S)-5-hydroxy-19-(1H-indol-3-ylmethyl)-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,6,21-trione
Molecular FormulaC32H38N2O5
Molecular Weight530.7
XLogP4
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity1100
SMILES
C[C@H]\1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)CC[C@@H](C(=O)/C(=C1)/C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C
InChI
InChI=1S/C32H38N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33,35H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7+,18-14+/t17-,19-,22-,24-,25-,27-,29-,31+,32+/m0/s1
InChIKey
KTFGDHPTDQFFRL-USMZZGTESA-N
Chemical Structure
2D Structure
2D structure of Chaetoglobosin F
CAS: 55945-75-0
CID: 23259927
Formula: C32H38N2O5
MW: 530.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.7
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass530.27807232
Monoisotopic Mass530.27807232
Topological Polar Surface Area112 Ų
Heavy Atom Count39
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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