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Kulinone

CAT: 0926-FK74057-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FK74057-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21688-61-9
Smiles
C[C@H] (CCC=C (C) C) [C@@H]1[C@H] (C[C@]2 ([C@]1 (CC[C@H]3C2=CC[C@@H]4[C@@]3 (CCC (=O) C4 (C) C) C) C) C) O
Controlled
No

Chemical Information

Kulinone

Kulinone is a triterpenoid. It has a role as a metabolite.

CAS Number21688-61-9
PubChem CID44567124
IUPAC Name(5R,9R,10R,13S,14S,16S,17S)-16-hydroxy-4,4,10,13,14-pentamethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC30H48O2
Molecular Weight440.7
XLogP7.5
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity830
SMILES
C[C@H](CCC=C(C)C)[C@@H]1[C@H](C[C@]2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C)O
InChI
InChI=1S/C30H48O2/c1-19(2)10-9-11-20(3)26-23(31)18-30(8)22-12-13-24-27(4,5)25(32)15-16-28(24,6)21(22)14-17-29(26,30)7/h10,12,20-21,23-24,26,31H,9,11,13-18H2,1-8H3/t20-,21+,23+,24+,26-,28-,29+,30-/m1/s1
InChIKey
YORJEFOAAXJWIS-QOXWJFHWSA-N
Chemical Structure
2D Structure
2D structure of Kulinone
CAS: 21688-61-9
CID: 44567124
Formula: C30H48O2
MW: 440.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.7
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass440.365430770
Monoisotopic Mass440.365430770
Topological Polar Surface Area37.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity830
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
TMA0896Kulinone

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