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HU 243

CAT: 0572-TRC-H673510-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H673510-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
140835-14-9
Synonyms
HU 243
Hazard Statement
No Data Available
Smiles
CCCCCCC(C)(C)c1cc(O)c2[C@@H]3C[C@H](CO)CC[C@H]3C(C)(C)Oc2c1
Molecular Formula
C25 H40 O3
Molecular Weight
388.583
InChI
InChI=1S/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1
Additionnal Information
IUPAC name: (6aR,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
Shipping Conditions
Room Temperature

Chemical Information

HU-243

RN refers to (6AR-(6AA,9A,10AB))-stereoisomer; structure given in first source

CAS Number140835-14-9
PubChem CID5311171
IUPAC Name(6aR,9R,10aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,8,9,10,10a-hexahydrobenzo[c]chromen-1-ol
Molecular FormulaC25H40O3
Molecular Weight388.6
XLogP7
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity500
SMILES
CCCCCCC(C)(C)C1=CC(=C2[C@@H]3C[C@@H](CC[C@H]3C(OC2=C1)(C)C)CO)O
InChI
InChI=1S/C25H40O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h14-15,17,19-20,26-27H,6-13,16H2,1-5H3/t17-,19-,20-/m1/s1
InChIKey
MVEVPDCVOXJVBD-MISYRCLQSA-N
Chemical Structure
2D Structure
2D structure of HU-243
CAS: 140835-14-9
CID: 5311171
Formula: C25H40O3
MW: 388.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.6
XLogP37
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count7
Exact Mass388.29774513
Monoisotopic Mass388.29774513
Topological Polar Surface Area49.7 Ų
Heavy Atom Count28
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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