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Clecarmycin C

CAT: 0931-TN10488-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10488-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
136427-31-1
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Clecarmycin C is an antitumor antibiotic that demonstrates cytotoxic and antitumor properties. Additionally, Clecarmycin C exhibits antibacterial activity.
Smiles
O=C1C=C(OC=2C=3C=C4C(=O)C5OC5(C(O)C4=C(O)C3C=C(C12)C)C6OC(C)C(O)C(=O)C6)C7(OC7C8OC8)C
Molecular Formula
C29H26O11
Molecular Weight
550.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Clecarmycin C

Clecarmycin C is an organic heterotricyclic compound and an organooxygen compound.

CAS Number136427-31-1
PubChem CID9893768
IUPAC Name2,4-dihydroxy-5-(5-hydroxy-6-methyl-4-oxooxan-2-yl)-18-methyl-14-[2-methyl-3-(oxiran-2-yl)oxiran-2-yl]-6,13-dioxapentacyclo[9.8.0.03,9.05,7.012,17]nonadeca-1,3(9),10,12(17),14,18-hexaene-8,16-dione
Molecular FormulaC29H26O11
Molecular Weight550.5
XLogP-0.3
Topological Polar Surface Area168
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count40
Formal Charge0
Complexity1220
SMILES
CC1C(C(=O)CC(O1)C23C(C4=C(C=C5C(=C4O)C=C(C6=C5OC(=CC6=O)C7(C(O7)C8CO8)C)C)C(=O)C2O3)O)O
InChI
InChI=1S/C29H26O11/c1-9-4-11-12(24-19(9)14(30)6-17(38-24)28(3)26(39-28)16-8-36-16)5-13-20(22(11)33)25(35)29(27(40-29)23(13)34)18-7-15(31)21(32)10(2)37-18/h4-6,10,16,18,21,25-27,32-33,35H,7-8H2,1-3H3
InChIKey
CUSVKWXGLVYYKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Clecarmycin C
CAS: 136427-31-1
CID: 9893768
Formula: C29H26O11
MW: 550.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight550.5
XLogP3-0.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass550.14751164
Monoisotopic Mass550.14751164
Topological Polar Surface Area168 Ų
Heavy Atom Count40
Formal Charge0
Complexity1220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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