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Kuguacin N

CAT: 0013-GTR19154602Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154602Size:5 mg
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Description
Kuguacin N is a compound with a purity of > 98%, a CAS number of 1141453-73-7, and a molecular weight of 470.7.
CAS Number
1141453-73-7
Purity
> 98%
Molecular Formula
C30H46O4
Molecular Weight
470.7
Notes
For research use only.
Applications Notes
Triterpenoids

Chemical Information

Kuguacin N

Kuguacin N has been reported in Momordica charantia with data available.

CAS Number1141453-73-7
PubChem CID25243361
IUPAC Name(3S,7S,8S,9R,10R,13R,14S,17R)-3,7-dihydroxy-4,4,13,14-tetramethyl-17-[(2R)-6-methyl-4-oxohept-5-en-2-yl]-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-9-carbaldehyde
Molecular FormulaC30H46O4
Molecular Weight470.7
XLogP5.2
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity911
SMILES
C[C@H](CC(=O)C=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2[C@H](C=C4[C@H]3CC[C@@H](C4(C)C)O)O)C=O)C)C
InChI
InChI=1S/C30H46O4/c1-18(2)14-20(32)15-19(3)21-10-11-29(7)26-24(33)16-23-22(8-9-25(34)27(23,4)5)30(26,17-31)13-12-28(21,29)6/h14,16-17,19,21-22,24-26,33-34H,8-13,15H2,1-7H3/t19-,21-,22-,24+,25+,26+,28-,29+,30-/m1/s1
InChIKey
NHGYTKMVBMBCNA-IFMVJOGVSA-N
Chemical Structure
2D Structure
2D structure of Kuguacin N
CAS: 1141453-73-7
CID: 25243361
Formula: C30H46O4
MW: 470.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight470.7
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass470.33960994
Monoisotopic Mass470.33960994
Topological Polar Surface Area74.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity911
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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