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Petromyzonol

CAT: 1596-AR-C07456-03Size: 50 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C07456-03Size:50 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28979-29-5
Molecular Formula
C24H42O4
Molecular Weight
394.60
API Name
Cholic acid

Chemical Information

Petromyzonol

5alpha-cholane-3alpha,7alpha,12alpha,24-tetrol is a 3alpha-hydroxy steroid, a 7alpha-hydroxy steroid, a 12alpha-hydroxy steroid and a 24-hydroxy steroid. It derives from a hydride of a 5alpha-cholane.

CAS Number28979-29-5
PubChem CID5284054
IUPAC Name(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-hydroxypentan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
Molecular FormulaC24H42O4
Molecular Weight394.6
XLogP3.8
Topological Polar Surface Area80.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity567
SMILES
C[C@H](CCCO)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
InChI
InChI=1S/C24H42O4/c1-14(5-4-10-25)17-6-7-18-22-19(13-21(28)24(17,18)3)23(2)9-8-16(26)11-15(23)12-20(22)27/h14-22,25-28H,4-13H2,1-3H3/t14-,15-,16-,17-,18+,19+,20-,21+,22+,23+,24-/m1/s1
InChIKey
BMSROUVLRAQRBY-JLIFGLSWSA-N
Chemical Structure
2D Structure
2D structure of Petromyzonol
CAS: 28979-29-5
CID: 5284054
Formula: C24H42O4
MW: 394.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.6
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass394.30830982
Monoisotopic Mass394.30830982
Topological Polar Surface Area80.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5798612Petromyzonol
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K2000503-Keto Petromyzonol 24-Hemisuccinate

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