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(3b,4a,5a)-3,4-Dihydroxyandrostan-17-one

CAT: 0572-TRC-D450108-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D450108-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
59580-81-3
Hazard Statement
Suspected of damaging fertility or the unborn child
Purity
>95% (HPLC)
Smiles
O[C@H]1CC[C@]2(C)[C@@]([C@@]3([H])CC[C@@]2([H])[C@@H]1O)([H])CC[C@@]4(C)[C@@]3([H])CCC4=O
Molecular Formula
C19H30O3
Molecular Weight
306.44
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

(3b,4a,5a)-3,4-Dihydroxyandrostan-17-one
CAS Number59580-81-3
PubChem CID162367335
IUPAC Name(3S,4S,5R,8R,9S,10R,13S,14S)-3,4-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
Molecular FormulaC19H30O3
Molecular Weight306.4
XLogP2.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count22
Formal Charge0
Complexity489
SMILES
C[C@]12CC[C@@H]([C@H]([C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC4=O)C)O)O
InChI
InChI=1S/C19H30O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-15,17,20,22H,3-10H2,1-2H3/t11-,12-,13-,14-,15-,17-,18+,19-/m0/s1
InChIKey
RFMKWBMPDNCUNR-ATMNEXLDSA-N
Chemical Structure
2D Structure
2D structure of (3b,4a,5a)-3,4-Dihydroxyandrostan-17-one
CAS: 59580-81-3
CID: 162367335
Formula: C19H30O3
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass306.21949481
Monoisotopic Mass306.21949481
Topological Polar Surface Area57.5 Ų
Heavy Atom Count22
Formal Charge0
Complexity489
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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Alternative Products

CatalogName
428278-01(3β,4α,5α) -3,4-Dihydroxyandrostan-17-one
272702-016b,7b,15b,16b-Dimethylene-3b,5b-dihydroxyandrostan-17-one
FN26472-01(3b,5a,17a) -19-Norpregnane-3,17-diol
CS-T-5581917-β-Hydroxy-17-methyl-4-oxa-5a-androstan-3-one
0104296β,7β,15β,16β-Dimethylene-3β,5β-dihydroxyandrostan-17-one
285385-01(3b,5a,17a) -19-Norpregnane-3,17-diol discontinued
5028634-Androsten-3b-ol-17-one enanthate
FH24334-013b-Hydroxyestra-4,9-dien-17-one
E16600-01Etiocholan-3b-ol-17-one
MBS6090751-016beta,7beta,15beta,16beta-Dimethylene-3beta,5beta-dihydroxyandrostan-17-one

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