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2α-Hydroxyeupatolide 8-o-angelate

CAT: 0926-XCA22939-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-XCA22939-01Size:5 mg
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CAS Number
72229-39-1
Smiles
CC=C (C) C (=O) OC1CC (=CC (CC (=CC2C1C (=C) C (=O) O2) C) O) C
Molecular Formula
C20H26O5
Molecular Weight
346.4 g/mol
Controlled
No

Chemical Information

2alpha-Hydroxyeupatolide 8-O-angelate
CAS Number72229-39-1
PubChem CID13994645
IUPAC Name[(3aR,4R,6E,8S,10E,11aR)-8-hydroxy-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (Z)-2-methylbut-2-enoate
Molecular FormulaC20H26O5
Molecular Weight346.4
XLogP2.5
Topological Polar Surface Area72.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity668
SMILES
C/C=C(/C)\C(=O)O[C@@H]1C/C(=C/[C@H](C/C(=C/[C@@H]2[C@@H]1C(=C)C(=O)O2)/C)O)/C
InChI
InChI=1S/C20H26O5/c1-6-13(4)19(22)24-16-9-11(2)7-15(21)8-12(3)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-10+,13-6-/t15-,16-,17-,18-/m1/s1
InChIKey
ZYKRXWIPMUJNME-OLQIGLHESA-N
Chemical Structure
2D Structure
2D structure of 2alpha-Hydroxyeupatolide 8-O-angelate
CAS: 72229-39-1
CID: 13994645
Formula: C20H26O5
MW: 346.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight346.4
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass346.17802393
Monoisotopic Mass346.17802393
Topological Polar Surface Area72.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-N91622α-Hydroxyeupatolide 8-O-angelate
GTR191825532alpha-Hydroxyeupatolide 8-O-angelate
M384202β-Methoxy-2-deethoxy-8-O-deacylphantomolin-8-O-tiglinate
B 0348- Bromo- 2'- O- methylguanosine (8-Br-2'-O-Me-Guo)
MBS256371-018- (4- Chlorophenylthio)- 2'- O- methylguanosine (8-pCPT-2'-O-Me-Guo)
C 070-508- (4- Chlorophenylthio) - 2'- O- methyladenosine (8-pCPT-2'-O-Me-Ado)
MBS256098-018- (4- Chlorophenylthio)- 2'- O- methyladenosine (8-pCPT-2'-O-Me-Ado)
C 102-258- (4- Chlorophenylthio) - 2'- O- methylguanosine (8-pCPT-2'-O-Me-Guo)
MBS256254-018- (4- Chlorophenylthio)- 2'- O- methyladenosine- 5'- O- monophosphate (8-pCPT-2'-O-Me-5'-AMP)
BLG-A099-258-AHA-2′-O-Me-cAMP

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