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Chrymutasin A

CAT: 0931-TN10292-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10292-02Size:50 mg
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CAS Number
155213-40-4
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Chrymutasin A is a glycoside antitumor antibiotic, known for its cytotoxic properties.
Smiles
O=C1C=2C=3C=4C(C(=O)OC3C=5C1=CC=CC5O[C@H]6[C@H](O[C@@H]7[C@H](O)[C@@H](OC)[C@@H](O)[C@@H](C)O7)[C@@H](O)[C@@H](O)[C@@H](C)O6)=C(C)C=CC4C(=O)C2N
Molecular Formula
C33H33NO13
Molecular Weight
651.614
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chrymutasin A

Chrymutasin A is a glycoside.

CAS Number155213-40-4
PubChem CID135466899
IUPAC Name3-[(2S,3R,4S,5R,6R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,5-dihydroxy-6-methyloxan-2-yl]oxy-8-hydroxy-10-imino-15-methyl-18-oxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-11,17-dione
Molecular FormulaC33H33NO13
Molecular Weight651.6
XLogP1.2
Topological Polar Surface Area215
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Heavy Atom Count47
Formal Charge0
Complexity1230
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)C(=O)C(=N)C5=C3O)O[C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)OC)O)O)O
InChI
InChI=1S/C33H33NO13/c1-10-8-9-14-18-16(10)31(41)46-28-17-13(24(37)20(19(18)28)21(34)25(14)38)6-5-7-15(17)45-33-30(26(39)22(35)11(2)44-33)47-32-27(40)29(42-4)23(36)12(3)43-32/h5-9,11-12,22-23,26-27,29-30,32-37,39-40H,1-4H3/t11-,12-,22+,23+,26+,27-,29+,30-,32-,33+/m1/s1
InChIKey
PGPBQOOTKKWKJL-UPVXFFSBSA-N
Chemical Structure
2D Structure
2D structure of Chrymutasin A
CAS: 155213-40-4
CID: 135466899
Formula: C33H33NO13
MW: 651.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight651.6
XLogP31.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Exact Mass651.19519011
Monoisotopic Mass651.19519011
Topological Polar Surface Area215 Ų
Heavy Atom Count47
Formal Charge0
Complexity1230
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19256026-01Chrymutasin A
GTR19255790-01Chrymutasin C
HY-N14086Chrymutasin B

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