Elsamicin B

CAT: 0931-TN10289-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10289-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

97068-31-0

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Bioactivity

Elsamicin B is an antitumor antibiotic belonging to the Chartreusin group.

Smiles

OC=1C2=C3C=4C(C(=O)OC3=C5C1C=CC=C5O[C@H]6[C@H](O)[C@@](C)(O)[C@@H](O)[C@@H](C)O6)=C(C)C=CC4OC2=O

Molecular Formula

C26H22O10

Molecular Weight

494.447

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Elsamicin B

Elsamicin B is a glycoside and a benzochromenone.

CAS Number	97068-31-0
PubChem CID	5486998
IUPAC Name	8-hydroxy-15-methyl-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione
Molecular Formula	C26H22O10
Molecular Weight	494.4
XLogP	2.9
Topological Polar Surface Area	152
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Heavy Atom Count	36
Formal Charge	0
Complexity	911

SMILES

C[C@@H]1[C@@H]([C@]([C@H](C(O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)O)(C)O)O

InChI

InChI=1S/C26H22O10/c1-9-7-8-13-16-14(9)23(30)36-20-15-11(19(27)18(17(16)20)24(31)34-13)5-4-6-12(15)35-25-22(29)26(3,32)21(28)10(2)33-25/h4-8,10,21-22,25,27-29,32H,1-3H3/t10-,21+,22+,25?,26+/m1/s1

InChIKey

HPVDVZANUAGIRR-CFSKDKRZSA-N

Chemical Structure

2D Structure

CAS: 97068-31-0

CID: 5486998

Formula: C26H22O10

MW: 494.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	494.4
XLogP3	2.9
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	2
Exact Mass	494.12129689
Monoisotopic Mass	494.12129689
Topological Polar Surface Area	152 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	911
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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GTR19256029-01	Elsamicin B

Elsamicin B

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