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Turkesterone

CAT: 0572-TRC-T897880-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-T897880-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41451-87-0
Synonyms
(2β,3β,5β,11α,22R)-2,3,11,14,20,22,25-Heptahydroxy-cholest-7-en-6-one
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CC(C)(O)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Molecular Formula
C27 H44 O8
Molecular Weight
496.63
InChI
InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27+/m0/s1
Additionnal Information
IUPAC name: (2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(1R,2R)-1,2,5-trihydroxy-1,5-dimethyl-hexyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

Turkesterone

Turkesterone is a steroid.

CAS Number41451-87-0
PubChem CID14376672
IUPAC Name(2S,3R,5R,9R,10R,11R,13R,14S,17S)-2,3,11,14-tetrahydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Molecular FormulaC27H44O8
Molecular Weight496.6
XLogP-0.7
Topological Polar Surface Area159
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity902
SMILES
C[C@]12C[C@H]([C@H]3C(=CC(=O)[C@H]4[C@@]3(C[C@@H]([C@@H](C4)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O)O
InChI
InChI=1S/C27H44O8/c1-23(2,33)8-7-21(32)26(5,34)20-6-9-27(35)15-11-16(28)14-10-17(29)18(30)12-24(14,3)22(15)19(31)13-25(20,27)4/h11,14,17-22,29-35H,6-10,12-13H2,1-5H3/t14-,17+,18-,19+,20-,21+,22+,24-,25+,26+,27+/m0/s1
InChIKey
WSBAGDDNVWTLOM-XHZKDPLLSA-N
Chemical Structure
2D Structure
2D structure of Turkesterone
CAS: 41451-87-0
CID: 14376672
Formula: C27H44O8
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP3-0.7
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass496.30361836
Monoisotopic Mass496.30361836
Topological Polar Surface Area159 Ų
Heavy Atom Count35
Formal Charge0
Complexity902
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

Alternative Products

CatalogName
AB3112Turkesterone
464953Turkesterone hydrate
HY-N2548RTurkesterone (Standard)

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