Products for Research Use Only
RegisterLogin

CAY10787

CAT: 0013-GTR19190799-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19190799-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CAY10787
CAS Number
567-72-6
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
[H][C@@]1 (CC[C@@]2 ([H]) [C@]3 ([H]) C (=O) C=C4C=CCC[C@]4 (C) [C@@]3 ([H]) CC[C@]12C) [C@H] (C) CCCC (C) C |c:12, t:10|
Molecular Formula
C27H42O
Molecular Weight
382.632
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cholesta-3,5-dien-7-one

3,5-cholestadien-7-one is an organic molecular entity.

CAS Number567-72-6
PubChem CID5283627
IUPAC Name(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
Molecular FormulaC27H42O
Molecular Weight382.6
XLogP8.7
Topological Polar Surface Area17.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity670
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C(=O)C=C4[C@@]3(CCC=C4)C)C
InChI
InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25+,26+,27-/m1/s1
InChIKey
TTXJJFWWNDJDNR-CZRUWHASSA-N
Chemical Structure
2D Structure
2D structure of Cholesta-3,5-dien-7-one
CAS: 567-72-6
CID: 5283627
Formula: C27H42O
MW: 382.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.6
XLogP38.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass382.323565959
Monoisotopic Mass382.323565959
Topological Polar Surface Area17.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity670
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19192124-01CAY10717
GTR19191693-01CAY10487
GTR19191397-01CAY10777
GTR19190422-01CAY10767
GTR19191456-01CAY10727
GTR19188038-01CAY10789
GTR19208107-01CAY10788
GTR19192079-01CAY10747
GTR19191642-01CAY10784
GTR19190989-01CAY10737

Alternative Products

CatalogName
MBS5798150CAY10787

Popular Products