Products for Research Use Only
RegisterLogin

Estrone Beta-D-Glucuronide Triacetate Methyl Ester

CAT: 0572-TRC-E889045-10MGSize: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-E889045-10MGSize:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
27537-72-0
Synonyms
17-Oxoestra-1,3,5(10)-trien-3-yl-beta-D-glucopyranosiduronic Acid Triacetate Methyl Ester; 3-(beta-D-Glucopyranuronosyloxy)-estra-1,3,5(10)-trien-17-one Methyl Ester Triacetate
Hazard Statement
No Data Available
Smiles
COC(=O)[C@H]1O[C@@H](Oc2ccc3[C@H]4CC[C@@]5(C)[C@@H](CCC5=O)[C@@H]4CCc3c2)C(OC(=O)C)C(OC(=O)C)[C@@H]1OC(=O)C
Molecular Formula
C31H38O11
Molecular Weight
586.63
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Estrone Beta-D-Glucuronide Triacetate Methyl Ester
CAS Number27537-72-0
PubChem CID169440030
IUPAC Namemethyl (2S,3S,6S)-3,4,5-triacetyloxy-6-[[(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-2-carboxylate
Molecular FormulaC31H38O11
Molecular Weight586.6
XLogP3.1
Topological Polar Surface Area141
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity1090
SMILES
CC(=O)O[C@@H]1[C@H](O[C@H](C(C1OC(=O)C)OC(=O)C)OC2=CC3=C(C=C2)[C@H]4CC[C@]5([C@H]([C@@H]4CC3)CCC5=O)C)C(=O)OC
InChI
InChI=1S/C31H38O11/c1-15(32)38-25-26(39-16(2)33)28(40-17(3)34)30(42-27(25)29(36)37-5)41-19-7-9-20-18(14-19)6-8-22-21(20)12-13-31(4)23(22)10-11-24(31)35/h7,9,14,21-23,25-28,30H,6,8,10-13H2,1-5H3/t21-,22-,23+,25+,26?,27+,28?,30-,31+/m1/s1
InChIKey
CIETWAVQDXKISQ-IRWMPLOPSA-N
Chemical Structure
2D Structure
2D structure of Estrone Beta-D-Glucuronide Triacetate Methyl Ester
CAS: 27537-72-0
CID: 169440030
Formula: C31H38O11
MW: 586.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.6
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass586.24141202
Monoisotopic Mass586.24141202
Topological Polar Surface Area141 Ų
Heavy Atom Count42
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-E889063-5MGEstrone 4-O-beta-D-Glucuronide Triacetate Methy Ester
TRC-C838515-25MGCurcumin Beta-D-Glucuronide Triacetate Methyl Ester
TRC-C838515-2.5MGCurcumin Beta-D-Glucuronide Triacetate Methyl Ester
TRC-C634120-25MGCodeine Beta-D-Glucuronide Triacetate Methyl Ester
TRC-C634120-2.5MGCodeine Beta-D-Glucuronide Triacetate Methyl Ester
TRC-M326590-10MGMethyl Salicylate Beta-D-O-Glucuronide Triacetate Methyl Ester
TRC-P831830-5MGrac Propranolol Beta-D-Glucuronide Triacetate Methyl Ester
TRC-C634123-5MGCodeine-d6 Beta-D-Glucuronide Triacetate Methyl Ester
TRC-C838517-25MGCurcumin beta-D-Glucuronide Triacetate Methyl Ester-d3
TRC-C634122-1MGCodeine Beta-D-Glucuronide Triacetate Methyl Ester-d3

Alternative Products

CatalogName
CS-TA-17991Androsterone-beta-D-Glucuronide Triacetate Methyl Ester
MBS6093215-01Curcumin beta-D-Glucuronide Triacetate Methyl Ester
WAA08573-01Androsterone beta-D-glucuronide triacetate methyl ester
MBS6042655-01Methyl Salicylate beta-D-O-Glucuronide Triacetate Methyl Ester
441565-01Androsterone β-D-Glucuronide Triacetate Methyl Ester
164047Estrone β-D-Glucuronide Triacetate Methyl Ester
007128Curcumin β-D-Glucuronide Triacetate Methyl Ester
468734-01Vitamin D3 α-D-Glucuronide Methyl Ester Triacetate
468735-01Vitamin D3 β-D-Glucuronide Methyl Ester Triacetate
464228-01Rac Propranolol β-D-Glucuronide Triacetate Methyl Ester

Popular Products