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16,17-Dihydroxy-7-kauranone

CAT: 0931-T125840-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T125840-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
145701-00-4
Target
Others
Related Pathways
Others
Bioactivity
16,17-Dihydroxy-7-kauranone is a useful organic compound for research related to life sciences. The catalog number is T125840 and the CAS number is 145701-00-4.
Smiles
CC1(C)CCCC2(C)C3CCC4CC3(CC4(O)CO)C(=O)CC12
Molecular Formula
C20H32O3
Molecular Weight
320.473
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

16,17-Dihydroxy-7-kauranone

16,17-Dihydroxy-7-kauranone is a kaurane diterpenoid.

CAS Number145701-00-4
PubChem CID57509432
IUPAC Name14-hydroxy-14-(hydroxymethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-2-one
Molecular FormulaC20H32O3
Molecular Weight320.5
XLogP3.2
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity541
SMILES
CC1(CCCC2(C1CC(=O)C34C2CCC(C3)C(C4)(CO)O)C)C
InChI
InChI=1S/C20H32O3/c1-17(2)7-4-8-18(3)14-6-5-13-10-19(14,11-20(13,23)12-21)16(22)9-15(17)18/h13-15,21,23H,4-12H2,1-3H3
InChIKey
CNEAFYADRZPYEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 16,17-Dihydroxy-7-kauranone
CAS: 145701-00-4
CID: 57509432
Formula: C20H32O3
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP33.2
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 Count0
Undefined Atom Stereocenter Count6
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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RM-T051713-0117α-Trenbolone-16,16,17-D3
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