Products for Research Use Only
RegisterLogin

Postaglandin B1

CAT: 0926-FP171300-02Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FP171300-02Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
13345-51-2
Smiles
CCCCC[C@@H] (/C=C/C1=C (C (=O) CC1) CCCCCCC (=O) O) O
Molecular Formula
C20H32O4
Molecular Weight
336.47 g/mol
Controlled
No

Chemical Information

Pgb1

Prostaglandin B1 is a member of the class of prostaglandins B that is prosta-8(12),13-dien-1-oic acid carrying oxo and hydroxy substituents at positions 9 and 15 respectively (the 13E,15S-stereoisomer). It has a role as a human metabolite. It is a conjugate acid of a prostaglandin B1(1-).

CAS Number13345-51-2
PubChem CID5280388
IUPAC Name7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]heptanoic acid
Molecular FormulaC20H32O4
Molecular Weight336.5
XLogP4
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count24
Formal Charge0
Complexity462
SMILES
CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)CCCCCCC(=O)O)O
InChI
InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1
InChIKey
YBHMPNRDOVPQIN-VSOYFRJCSA-N
Chemical Structure
2D Structure
2D structure of Pgb1
CAS: 13345-51-2
CID: 5280388
Formula: C20H32O4
MW: 336.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass336.23005950
Monoisotopic Mass336.23005950
Topological Polar Surface Area74.6 Ų
Heavy Atom Count24
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FF23618-01Fumonisin B1
IFA13758-01Epimedin B1
FS73851-01Saikosaponin B1
FP45625-01Procyanidin B1
FP165509Prodelphinidin B1
BE162723-01Enniatin B1
OA16898-01Avermectin B1
UHA79444-01Dracoflavan B1
HCA76279-01Bacitracin B1
FI74091-01Ilexsaponin B1

Popular Products