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Astin B

CAT: 1410-M31941-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M31941-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Astin B has antitumor activity.
CAS Number
151201-76-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
586.5
Molecular Formula
C25H33N5O7Cl2
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

Astin B

Astin B has been reported in Aster tataricus with data available.

CAS Number151201-76-2
PubChem CID15233656
IUPAC Name(3S,7R,10S,13S,16R,17S,18R)-17,18-dichloro-3-ethyl-13-[(1S)-1-hydroxyethyl]-10-(hydroxymethyl)-7-phenyl-1,4,8,11,14-pentazabicyclo[14.3.0]nonadecane-2,5,9,12,15-pentone
Molecular FormulaC25H33Cl2N5O7
Molecular Weight586.5
XLogP0.6
Topological Polar Surface Area177
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity934
SMILES
CC[C@H]1C(=O)N2C[C@H]([C@H]([C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(=O)N1)C3=CC=CC=C3)CO)[C@H](C)O)Cl)Cl
InChI
InChI=1S/C25H33Cl2N5O7/c1-3-15-25(39)32-10-14(26)19(27)21(32)24(38)31-20(12(2)34)23(37)30-17(11-33)22(36)29-16(9-18(35)28-15)13-7-5-4-6-8-13/h4-8,12,14-17,19-21,33-34H,3,9-11H2,1-2H3,(H,28,35)(H,29,36)(H,30,37)(H,31,38)/t12-,14+,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey
DQILVZOWLYBPKT-FKOMMSEQSA-N
Chemical Structure
2D Structure
2D structure of Astin B
CAS: 151201-76-2
CID: 15233656
Formula: C25H33Cl2N5O7
MW: 586.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.5
XLogP30.6
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass585.1757038
Monoisotopic Mass585.1757038
Topological Polar Surface Area177 Ų
Heavy Atom Count39
Formal Charge0
Complexity934
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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