Products for Research Use Only

HMG499

CAT: 0013-GTR19205642-02Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19205642-02Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
HMG499
CAS Number
2416941-68-7
Field of Research
Cell Biology, Metabolism Research
Smiles
C[C@@]12[C@@]3 ([C@] ([C@]4 ([C@] (C) (CC3) [C@@] ([C@@H] (CCCC (CC=C) (CC=C) O) C) (CC4) [H]) [H]) ([C@@H] (O) C=C1C (C) (C) [C@@H] (O) CC2) [H]) [H]
Molecular Formula
C33H54O3
Molecular Weight
498.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

CID 162640582
CAS Number2416941-68-7
PubChem CID162640582
IUPAC Name(3S,7R,8S,9S,10R,13R,14S,17R)-17-[(2R)-6-hydroxy-6-prop-2-enylnon-8-en-2-yl]-4,4,10,13-tetramethyl-1,2,3,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-3,7-diol
Molecular FormulaC33H54O3
Molecular Weight498.8
XLogP8
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity847
SMILES
C[C@H](CCCC(CC=C)(CC=C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4(C)C)O)C)O)C
InChI
InChI=1S/C33H54O3/c1-8-16-33(36,17-9-2)18-10-11-22(3)23-12-13-24-29-25(14-19-31(23,24)6)32(7)20-15-28(35)30(4,5)27(32)21-26(29)34/h8-9,21-26,28-29,34-36H,1-2,10-20H2,3-7H3/t22-,23-,24+,25+,26+,28+,29+,31-,32-/m1/s1
InChIKey
LPLLZSOEZAVGBO-XHBYIXHHSA-N
Chemical Structure
2D Structure
2D structure of CID 162640582
CAS: 2416941-68-7
CID: 162640582
Formula: C33H54O3
MW: 498.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight498.8
XLogP38
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass498.40729558
Monoisotopic Mass498.40729558
Topological Polar Surface Area60.7 Ų
Heavy Atom Count36
Formal Charge0
Complexity847
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M21875-01HMG499