Products for Research Use Only
RegisterLogin

Stachartin E

CAT: 0926-DED38858-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-DED38858-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1978388-58-7
Smiles
CC1CCC2C (C (CCC2 (C13CC4=C (C=C5C (=C4O3) CN (C5=O) C (CC6=CC=CC=C6) C (=O) OC) O) C) O) (C) C
Molecular Formula
C33H41NO6
Molecular Weight
547.7 g/mol
Controlled
No

Chemical Information

Stachartin E

Stachartin E is a phenylalanine derivative.

CAS Number1978388-58-7
PubChem CID155886331
IUPAC Namemethyl 2-(3,4'-dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl)-3-phenylpropanoate
Molecular FormulaC33H41NO6
Molecular Weight547.7
XLogP5.8
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity993
SMILES
CC1CCC2C(C(CCC2(C13CC4=C(C=C5C(=C4O3)CN(C5=O)C(CC6=CC=CC=C6)C(=O)OC)O)C)O)(C)C
InChI
InChI=1S/C33H41NO6/c1-19-11-12-26-31(2,3)27(36)13-14-32(26,4)33(19)17-22-25(35)16-21-23(28(22)40-33)18-34(29(21)37)24(30(38)39-5)15-20-9-7-6-8-10-20/h6-10,16,19,24,26-27,35-36H,11-15,17-18H2,1-5H3
InChIKey
ZWJSTYLVFXSIFD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Stachartin E
CAS: 1978388-58-7
CID: 155886331
Formula: C33H41NO6
MW: 547.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.7
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass547.29338803
Monoisotopic Mass547.29338803
Topological Polar Surface Area96.3 Ų
Heavy Atom Count40
Formal Charge0
Complexity993
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
DED38854-01Stachartin A
DED38855-01Stachartin B
DED38857-01Stachartin D
FB64958-01(E, E) -Bisdemethoxycurcumin
FD21756-01E, E-Dienestrol
AAA46211-01(E, E) Farnesoic acid
FP27067-01(E, E) -Piperic acid
KAA48570-01(E, E) Methyl farnesoate
QNA70135-01(E, E) -Farnesyl thioacetate
PF16962-01F-L-E-E-V

Alternative Products

CatalogName
HY-N7251Stachartin A
TN5056Stachartin E
TN5055Stachartin D
GTR19181512Stachartin B
HY-N7353Stachartin C

Popular Products