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Zymostenol

CAT: 0607-BA7565-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7565-1Size:1 mg
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CAS Number
566-97-2
Form
A solid
Molecular Formula
C27H46O
Molecular Weight
386.65
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

delta8-Cholestenol

5alpha-cholest-8-en-3beta-ol is a cholestanoid that is 5alpha-cholestane substituted by a beta-hydroxy group at position 3. It has a role as a mouse metabolite and a human metabolite. It is a 3beta-sterol and a cholestanoid. It derives from a hydride of a 5alpha-cholestane.

CAS Number566-97-2
PubChem CID101770
IUPAC Name(3S,5S,10S,13R,14R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC27H46O
Molecular Weight386.7
XLogP8
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity603
SMILES
C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-21,23-24,28H,6-17H2,1-5H3/t19-,20+,21+,23-,24+,26+,27-/m1/s1
InChIKey
QETLKNDKQOXZRP-XTGBIJOFSA-N
Chemical Structure
2D Structure
2D structure of delta8-Cholestenol
CAS: 566-97-2
CID: 101770
Formula: C27H46O
MW: 386.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight386.7
XLogP38
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass386.354866087
Monoisotopic Mass386.354866087
Topological Polar Surface Area20.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity603
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

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