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Calliterpenone

CAT: 0931-T124920-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T124920-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38602-53-8
Target
Others
Related Pathways
Others
Bioactivity
Calliterpenone is a useful organic compound for research related to life sciences. The catalog number is T124920 and the CAS number is 38602-53-8.
Smiles
[H][C@]12CC[C@@H]3C[C@]1(C[C@]3(O)CO)CC[C@@]1([H])C(C)(C)C(=O)CC[C@]21C
Molecular Formula
C20H32O3
Molecular Weight
320.473
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Calliterpenone

Calliterpenone is a kaurane diterpenoid.

CAS Number38602-53-8
PubChem CID12016376
IUPAC Name(1S,4R,9R,10S,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-6-one
Molecular FormulaC20H32O3
Molecular Weight320.5
XLogP3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity541
SMILES
C[C@]12CCC(=O)C([C@@H]1CC[C@]34[C@@H]2CC[C@@H](C3)[C@](C4)(CO)O)(C)C
InChI
InChI=1S/C20H32O3/c1-17(2)14-6-9-19-10-13(20(23,11-19)12-21)4-5-15(19)18(14,3)8-7-16(17)22/h13-15,21,23H,4-12H2,1-3H3/t13-,14-,15+,18-,19-,20-/m0/s1
InChIKey
MPDUJZZNNBJFAB-JHSPYMOQSA-N
Chemical Structure
2D Structure
2D structure of Calliterpenone
CAS: 38602-53-8
CID: 12016376
Formula: C20H32O3
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass320.23514488
Monoisotopic Mass320.23514488
Topological Polar Surface Area57.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity541
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19228799-01Calliterpenone

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