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Chrymutasin B

CAT: 0931-TN10051-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10051-02Size:50 mg
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CAS Number
155213-41-5
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Chrymutasin B is a glycoside antitumor antibiotic known for its cytotoxic properties.
Smiles
O=C1C=2C=3C4=C(C(=O)C2N)C=CC(C)=C4C(=O)OC3C=5C1=CC=CC5O[C@H]6[C@H](O[C@@H]7[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C)O7)[C@@H](O)[C@@H](O)[C@@H](C)O6
Molecular Formula
C32H31NO13
Molecular Weight
637.587
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Chrymutasin B

Chrymutasin B has been reported in Streptomyces chartreusis with data available.

CAS Number155213-41-5
PubChem CID135482384
IUPAC Name3-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-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 FormulaC32H31NO13
Molecular Weight637.6
XLogP0.7
Topological Polar Surface Area226
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Heavy Atom Count46
Formal Charge0
Complexity1220
SMILES
C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H]([C@H]([C@H](O[C@H]2OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)C(=O)C(=N)C6=C4O)C)O)O)O)O)O
InChI
InChI=1S/C32H31NO13/c1-9-7-8-13-17-15(9)30(41)45-28-16-12(23(36)19(18(17)28)20(33)24(13)37)5-4-6-14(16)44-32-29(26(39)22(35)11(3)43-32)46-31-27(40)25(38)21(34)10(2)42-31/h4-8,10-11,21-22,25-27,29,31-36,38-40H,1-3H3/t10-,11-,21+,22+,25+,26+,27-,29-,31-,32+/m1/s1
InChIKey
FVSJXGWFLSEPJG-SZTUNKENSA-N
Chemical Structure
2D Structure
2D structure of Chrymutasin B
CAS: 155213-41-5
CID: 135482384
Formula: C32H31NO13
MW: 637.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight637.6
XLogP30.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count14
Rotatable Bond Count4
Exact Mass637.17954004
Monoisotopic Mass637.17954004
Topological Polar Surface Area226 Ų
Heavy Atom Count46
Formal Charge0
Complexity1220
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

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