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Stigmastanol-D4

CAT: 1299-RM-S241006-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S241006-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
150044-25-0
Synonyms
(3S,5S,8S,9S,10S,13R,14S,17R) -17- ((2R,5R) -5-ethyl-6-methylheptan-2-yl-3,4-d2) -10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-5,6-d2-3-ol
Molecular Formula
C29H48D4O
Molecular Weight
420.76
Target Alternative Name
Stigmastanol
Product Name Synonym
(3S,5S,8S,9S,10S,13R,14S,17R) -17- ((2R,5R) -5-ethyl-6-methylheptan-2-yl-3,4-d2) -10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-5,6-d2-3-ol

Chemical Information

Stigmastan-5,6,22,23-d4-3-ol, (3beta,5alpha)-
CAS Number150044-25-0
PubChem CID71309302
IUPAC Name(3S,5S,8R,9S,10S,13R,14S,17R)-5,6-dideuterio-17-[(2R,5R)-3,4-dideuterio-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol
Molecular FormulaC29H52O
Molecular Weight420.7
XLogP10.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity583
SMILES
[2H]C1C[C@H]2[C@@H]3CC[C@@H]([C@]3(CC[C@@H]2[C@@]4([C@@]1(C[C@H](CC4)O)[2H])C)C)[C@H](C)C([2H])C([2H])[C@@H](CC)C(C)C
InChI
InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21-,22+,23+,24+,25-,26+,27+,28+,29-/m1/s1/i8D,9D,10D,22D/t8?,9?,10?,20-,21-,22+,23+,24+,25-,26+,27+,28+,29-
InChIKey
LGJMUZUPVCAVPU-DRBICYPTSA-N
Chemical Structure
2D Structure
2D structure of Stigmastan-5,6,22,23-d4-3-ol, (3beta,5alpha)-
CAS: 150044-25-0
CID: 71309302
Formula: C29H52O
MW: 420.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight420.7
XLogP310.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass420.426923262
Monoisotopic Mass420.426923262
Topological Polar Surface Area20.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity583
Isotope Atom Count4
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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