16β-Hydroxy dhea

CAT: 0926-BAA15968-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-BAA15968-01Size:5 mg

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CAS Number

1159-68-8

Smiles

CC12CCC (CC1=CCC3C2CCC4 (C3CC (C4=O) O) C) O

Molecular Formula

C19H28O3

Molecular Weight

304.4 g/mol

Controlled

Yes

Chemical Information

16beta-Hydroxydehydroepiandrosterone

CAS Number	1159-68-8
PubChem CID	6451197
IUPAC Name	(3S,8R,9S,10R,13S,14S,16S)-3,16-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
Molecular Formula	C19H28O3
Molecular Weight	304.4
XLogP	2.7
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	22
Formal Charge	0
Complexity	539

SMILES

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@@H](C4=O)O)C)O

InChI

InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h3,12-16,20-21H,4-10H2,1-2H3/t12-,13+,14-,15-,16-,18-,19-/m0/s1

InChIKey

QQIVKFZWLZJXJT-HLUDHZFRSA-N

Chemical Structure

2D Structure

CAS: 1159-68-8

CID: 6451197

Formula: C19H28O3

MW: 304.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	304.4
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	304.20384475
Monoisotopic Mass	304.20384475
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	539
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
HY-145751-01	7α-Hydroxy-DHEA
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TRC-H825025-250MG	16-Hydroxy Capsaicin
sc-488185	16α-Hydroxy Progesterone
HY-W683681-01	16α-Hydroxy etiocholanolone
TN8518-01	16-Hydroxy-gypenoside A
158908	16α-Hydroxy Androsterone
TRC-H949825-75MG	16-Hydroxy Methylstenbolone
T36920-01	16α-hydroxy Dehydroepiandrosterone
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16β-Hydroxy dhea

Chemical Information

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