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Momordicin II

CAT: 0013-GTR19156602-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156602-01Size:100 mg
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Description
Triterpenoids.
CAS Number
91590-75-9
Purity
>98% (HPLC)
Solubility
Soluble in Chloroform, Dichloromethane, Ethyl Acetate, DMSO, Acetone, etc.
Smiles
CC (CC (C=C (C) C) OC1C (C (C (C (O1) CO) O) O) O) C2CCC3 (C2 (CCC4 (C3C (C=C5C4CCC (C5 (C) C) O) O) C=O) C) C
Molecular Formula
C36H58O9
Molecular Weight
634.9
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

momordicin II

Momordicin II has been reported in Momordica charantia with data available.

CAS Number91590-75-9
PubChem CID101019708
IUPAC Name(3S,7S,8S,9R,10R,13R,14S,17R)-3,7-dihydroxy-4,4,13,14-tetramethyl-17-[(2R)-6-methyl-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
Molecular FormulaC36H58O9
Molecular Weight634.8
XLogP3.7
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count45
Formal Charge0
Complexity1160
SMILES
C[C@H](CC(C=C(C)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)[C@H]2CC[C@@]3([C@@]2(CC[C@@]4([C@H]3[C@H](C=C5[C@H]4CC[C@@H](C5(C)C)O)O)C=O)C)C
InChI
InChI=1S/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3/t20-,21?,22-,23-,25+,26-,27+,28-,29+,30-,31+,32-,34-,35+,36-/m1/s1
InChIKey
WCYLDCDQWJYEPO-RMDIKJGVSA-N
Chemical Structure
2D Structure
2D structure of momordicin II
CAS: 91590-75-9
CID: 101019708
Formula: C36H58O9
MW: 634.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight634.8
XLogP33.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass634.40808342
Monoisotopic Mass634.40808342
Topological Polar Surface Area157 Ų
Heavy Atom Count45
Formal Charge0
Complexity1160
Isotope Atom Count0
Defined Atom Stereocenter Count14
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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