Products for Research Use Only
RegisterLogin

Steffimycin B

CAT: 0926-ECA52694-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-ECA52694-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
54526-94-2
MDL Number
MFCD01713106
Smiles
CC1C (C (C (C (O1) OC2C (C (C (=O) C3=CC4=C (C (=C23) O) C (=O) C5=C (C4=O) C=C (C=C5O) OC) (C) O) OC) OC) O) OC
Molecular Formula
C29H32O13
Molecular Weight
588.6 g/mol
Controlled
No

Chemical Information

Steffimycin B

Steffimycin B is an anthracycline.

CAS Number54526-94-2
PubChem CID99762
IUPAC Name2,5,7-trihydroxy-4-(4-hydroxy-3,5-dimethoxy-6-methyloxan-2-yl)oxy-3,9-dimethoxy-2-methyl-3,4-dihydrotetracene-1,6,11-trione
Molecular FormulaC29H32O13
Molecular Weight588.6
XLogP0.8
Topological Polar Surface Area188
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1050
SMILES
CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)OC
InChI
InChI=1S/C29H32O13/c1-10-23(38-4)22(34)25(39-5)28(41-10)42-24-18-14(26(35)29(2,36)27(24)40-6)9-13-17(21(18)33)20(32)16-12(19(13)31)7-11(37-3)8-15(16)30/h7-10,22-25,27-28,30,33-34,36H,1-6H3
InChIKey
VHJWDTPKSIFZBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Steffimycin B
CAS: 54526-94-2
CID: 99762
Formula: C29H32O13
MW: 588.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.6
XLogP30.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count6
Exact Mass588.18429107
Monoisotopic Mass588.18429107
Topological Polar Surface Area188 Ų
Heavy Atom Count42
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count8
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
EN36498-01B-Naphthyl-b-maltotrioside
HHB63110-01B-Hydroxy 2C-B hydrochloride
MT184248Tri-b-GalNAc-b-alanine-NH2
OL15748-01B-Lactose - min 70% b-anomer
WYB26277-01Meliasenin B
ZRC35984-01Sophoracarpan B
ZFA99839-01Gelomuloside B
ZCA68316-01Nectandrin B
YTA45173-01Carpinontriol B
YPC15314-01Isonanangenine B

Alternative Products

CatalogName
GTR19261464-01Steffimycin B
S7972-84Steffimycin B (Antibiotic U 40615)

Popular Products