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15-Dihydroepioxylubimin

CAT: 0931-TN2637Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2637Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
129214-59-1
Target
Others
Related Pathways
Others
Bioactivity
15-Dihydroepioxylubimin is a natural product for research related to life sciences. The catalog number is TN2637 and the CAS number is 129214-59-1.
Smiles
C[C@@H]1[C@@H](O)[C@H](O)C[C@@H](CO)[C@]11CC[C@H](C1)C(C)=C
Molecular Formula
C15H26O3
Molecular Weight
254.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

15-Dihydroepioxylubimin
CAS Number129214-59-1
PubChem CID25200803
IUPAC Name(3R,5R,6S,7R,8R,10R)-10-(hydroxymethyl)-6-methyl-3-prop-1-en-2-ylspiro[4.5]decane-7,8-diol
Molecular FormulaC15H26O3
Molecular Weight254.36
XLogP2.5
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity328
SMILES
C[C@@H]1[C@H]([C@@H](C[C@H]([C@]12CC[C@H](C2)C(=C)C)CO)O)O
InChI
InChI=1S/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3H3/t10-,11-,12+,13-,14-,15+/m1/s1
InChIKey
NPIIWZCGVADPIE-KYFQHEKYSA-N
Chemical Structure
2D Structure
2D structure of 15-Dihydroepioxylubimin
CAS: 129214-59-1
CID: 25200803
Formula: C15H26O3
MW: 254.36
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.36
XLogP32.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass254.18819469
Monoisotopic Mass254.18819469
Topological Polar Surface Area60.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity328
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

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