Products for Research Use Only
RegisterLogin

11-Oxomogroside IIIE

CAT: 0013-GTR19183634-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19183634-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
11-Oxomogroside IIIE is a cucurbitane triterpenoid isolated from the traditional medicinal fruit Siraitia grosvenorii. It has demonstrated potent antitumor-promoting activity in vitro, strongly inhibiting TPA-induced Epstein-Barr virus early antigen in Raji cells. This compound is a valuable research tool for studying chemopreventive agents and natural product pharmacology.
CAS Number
2096516-68-4
Product Name Alternative
11 Oxomogroside IIIE, 11Oxomogroside IIIE, 11-Oxomogroside IIIE
Purity
99.85% (May vary between batches)
Solubility
DMSO:80 mg/mL (83.23 mM)
Smiles
C[C@]12[C@] ([C@@]3 (C) [C@] (C) (CC1=O) [C@@] ([C@@H] (CC[C@@H] (O[C@H]4[C@H] (O[C@@H]5O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]5O) [C@@H] (O) [C@H] (O) [C@@H] (CO) O4) C (C) (C) O) C) (CC3) [H]) (CC=C6[C@]2 (CC[C@H] (O[C@@H]7O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]7O) C6 (C) C) [H]) [H]
Molecular Formula
C48H80O19
Molecular Weight
961.14
Storage Conditions
Keep away from direct sunlight | Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

11-Oxomogroside IIIe
CAS Number2096516-68-4
PubChem CID132606976
IUPAC Name(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-hydroxy-6-methylheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Molecular FormulaC48H80O19
Molecular Weight961.1
XLogP0.3
Topological Polar Surface Area315
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count14
Heavy Atom Count67
Formal Charge0
Complexity1760
SMILES
C[C@H](CC[C@H](C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]3CC[C@@]4([C@@]3(CC(=O)[C@@]5([C@H]4CC=C6[C@H]5CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C
InChI
InChI=1S/C48H80O19/c1-21(9-13-31(45(4,5)61)66-43-40(37(58)34(55)27(20-51)64-43)67-42-39(60)36(57)33(54)26(19-50)63-42)22-15-16-46(6)28-12-10-23-24(48(28,8)29(52)17-47(22,46)7)11-14-30(44(23,2)3)65-41-38(59)35(56)32(53)25(18-49)62-41/h10,21-22,24-28,30-43,49-51,53-61H,9,11-20H2,1-8H3/t21-,22-,24-,25-,26-,27-,28+,30+,31-,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,46+,47-,48+/m1/s1
InChIKey
QVTPQPDYCBHPCC-WTFJSKLNSA-N
Chemical Structure
2D Structure
2D structure of 11-Oxomogroside IIIe
CAS: 2096516-68-4
CID: 132606976
Formula: C48H80O19
MW: 961.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight961.1
XLogP30.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count19
Rotatable Bond Count14
Exact Mass960.52938032
Monoisotopic Mass960.52938032
Topological Polar Surface Area315 Ų
Heavy Atom Count67
Formal Charge0
Complexity1760
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR1918363611-​Oxomogroside III
GTR19183633-0111-Oxomogroside IV
GTR1917818811-Oxomogroside IIa
GTR1920670111-Oxomogroside IIe
GTR19206703-0111-Oxomogroside IIa
GTR19217067-0111-Oxomogroside IV A
GTR1917976811-Oxomogroside IIA2
GTR1926945411-Oxomogroside IVa
GTR1926945511-Oxomogroside II A1
GTR19220284-0111-Oxomogroside II A1

Alternative Products

CatalogName
BUP24184-0111-Oxomogroside IIIE
HY-N6920R11-Oxomogroside IIIE (Standard)
TWC00347-0111-Deoxymogroside iiie
CNB48153-0111-​Oxomogroside III
HY-N8147-0111-Oxomogroside IV
TN662411-Oxomogroside IIA2
T10042-0111-Oxomogroside IIa
TBW0134111-Oxomogroside III
MBS582511011-Oxomogroside IV A
M32558-0111-Oxomogroside IVa

Popular Products