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(24S)-Campestanol

CAT: 0572-TRC-C155300-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C155300-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
6538-02-9
Synonyms
Ergostan-3-ol, (3β,5α)-; 5α-Ergostan-3β-ol (6CI,7CI); (3β,5α)-Ergostan-3-ol; (24S)-5α-Ergostan-3β-ol; 24(S)-Methyl-5α-cholestan-3β-ol; 24α-Methylcholestanol; 5α(H)-Campestanol; Dihydrobrassicastanol; Epiergostanol; Ergostanol
Hazard Statement
Not a hazardous substance according to GHS.
Purity
>95% (HPLC)
Smiles
CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Molecular Formula
C28 H50 O
Molecular Weight
402.7
InChI
InChI=1S/C28H50O/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/h18-26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1
Additionnal Information
IUPAC name: (3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Ergostanol

5alpha-ergostan-3beta-ol is an ergostanoid.

CAS Number6538-02-9
PubChem CID5283641
IUPAC Name(3S,5S,8R,9S,10S,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
Molecular FormulaC28H50O
Molecular Weight402.7
XLogP9.6
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity569
SMILES
C[C@H](CC[C@H](C)C(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@H](C4)O)C)C
InChI
InChI=1S/C28H50O/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/h18-26,29H,7-17H2,1-6H3/t19-,20+,21-,22-,23-,24+,25-,26-,27-,28+/m0/s1
InChIKey
ARYTXMNEANMLMU-OZEQXKMUSA-N
Chemical Structure
2D Structure
2D structure of Ergostanol
CAS: 6538-02-9
CID: 5283641
Formula: C28H50O
MW: 402.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight402.7
XLogP39.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count5
Exact Mass402.386166214
Monoisotopic Mass402.386166214
Topological Polar Surface Area20.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity569
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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