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Reneilmol

CAT: 0013-GTR19231629-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19231629-01Size:1 mg
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Description
Reneilmol serves as a high-purity reference standard for research applications. It is utilized in both in vitro and in vivo studies within pharmacology and toxicology to investigate metabolic pathways and compound efficacy, supporting accurate analytical quantification.
CAS Number
260968-11-4
Smiles
C[C@]12[C@@] ([C@H] ([C@@H] (C) C) CC1) ([C@@H] (O) [C@@] (C) (O) CC[C@H]2O) [H]
Molecular Formula
C15H28O3
Molecular Weight
256.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Reneilmol

(3S,3aS,4R,5S,8R,8aR)-3-isopropyl-5,8a-dimethyl-octahydroazulene-4,5,8-triol has been reported in Renealmia cincinnata with data available.

CAS Number260968-11-4
PubChem CID91895383
IUPAC Name(3S,3aS,4R,5S,8R,8aR)-5,8a-dimethyl-3-propan-2-yl-1,2,3,3a,4,6,7,8-octahydroazulene-4,5,8-triol
Molecular FormulaC15H28O3
Molecular Weight256.38
XLogP2.2
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity317
SMILES
CC(C)[C@@H]1CC[C@@]2([C@H]1[C@H]([C@@](CC[C@H]2O)(C)O)O)C
InChI
InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3)11(16)6-8-15(4,18)13(17)12(10)14/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12+,13+,14-,15-/m0/s1
InChIKey
XUVQJFBJHKRROA-ZYIYBEKCSA-N
Chemical Structure
2D Structure
2D structure of Reneilmol
CAS: 260968-11-4
CID: 91895383
Formula: C15H28O3
MW: 256.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight256.38
XLogP32.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass256.20384475
Monoisotopic Mass256.20384475
Topological Polar Surface Area60.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity317
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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CatalogName
T125177-01Reneilmol

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