7α-Hydroxy-DHEA

C₁₉H₂₈O₃CAS 53-00-9304.43 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₁₉H₂₈O₃
Molar mass: 304.43 g/mol
Exact mass: 304.2038 Da
Melting point: 181.5–183.5 °C
logP: 2.85Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 0
Stereocentres: R, S, S, R, S, S, Sin SMILES atom order

Hazards

Danger

H351 Suspected of causing cancer100% of notifiers
H360FD May damage fertility; May damage the unborn child100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

53-00-9

SMILES

C[C@]12CC[C@H](O)CC1=C[C@@H](O)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

InChIKey

OLPSAOWBSPXZEA-JIEICEMKSA-N

InChI

InChI=1S/C19H28O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h10,12-15,17,20-21H,3-9H2,1-2H3/t12-,13-,14-,15+,17-,18-,19-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names

Androst-5-en-17-one, 3,7-dihydroxy-, (3β,7α)-
Androst-5-en-17-one, 3β,7α-dihydroxy-
(3β,7α)-3,7-Dihydroxyandrost-5-en-17-one
7α-Hydroxydehydroepiandrosterone
3β,7α-Dihydroxy-5-androsten-17-one
3β,7α-Dihydroxy-5-androstene-17-one
7α-Hydroxydehydroisoandrosterone
(-)-7α-Hydroxydehydroepiandrosterone
7-α-OH-DHEA

Work with 7α-Hydroxy-DHEA

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Dehydroepiandrosterone53-43-066 % similar 7-Keto-dehydroepiandrosterone566-19-865 % similar 4-Dehydroepiandrosterone571-44-853 % similar Epiandrosterone481-29-847 % similar Androsterone53-41-847 % similar Etiocholanolone53-42-947 % similar Androstenedione63-05-845 % similar Androstenone hydrazone63015-10-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

[8]-Shogaol36700-45-5 4-Ethoxyphenyl trans-4-butylcyclohexanecarboxylate67589-47-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia