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Ergostenol

CAT: 0931-TN7070-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7070-04Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
632-32-6
Target
Others
Related Pathways
Others
Purity
0.9982
Bioactivity
Ergostenol (Ergost-8 (14) -en-3beta-ol) is a biological precursor and a provitamin of vitamin D2.
Smiles
C[C@@]12C(=C3[C@@]([C@]4(C)[C@@](CC3)(C[C@@H](O)CC4)[H])(CC1)[H])CC[C@@]2([C@@H](CC[C@@H](C(C)C)C)C)[H]
Molecular Formula
C28H48O
Molecular Weight
400.68
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

alpha-Ergostenol

Delta8(14)-Ergostenol is an ergostanoid.

CAS Number632-32-6
PubChem CID5283658
IUPAC Name(3S,5S,9R,10S,13R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC28H48O
Molecular Weight400.7
XLogP8.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity632
SMILES
C[C@H](CC[C@H](C)C(C)C)[C@H]1CCC2=C3CC[C@H]4C[C@H](CC[C@@]4([C@H]3CC[C@]12C)C)O
InChI
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-22,24,26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,24+,26-,27-,28+/m0/s1
InChIKey
AWYDNKRGSOPYQB-ZHYOCZQLSA-N
Chemical Structure
2D Structure
2D structure of alpha-Ergostenol
CAS: 632-32-6
CID: 5283658
Formula: C28H48O
MW: 400.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.7
XLogP38.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass400.370516150
Monoisotopic Mass400.370516150
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity632
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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