Androsta-4,16-dien-3β-ol

C₁₉H₂₈OCAS 23062-06-8272.43 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₂₈O
Molar mass: 272.43 g/mol
Exact mass: 272.2140 Da
Melting point: 114–117 °C
logP: 4.48Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: R, S, S, S, R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

23062-06-8

SMILES

C[C@@]12C=CC[C@H]1[C@@H]1CCC3=C[C@@H](O)CC[C@]3(C)[C@H]1CC2

InChIKey

NYVFCEPOUVGTNP-DYKIIFRCSA-N

InChI

InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,14-17,20H,4-8,10-11H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1

Weigh it out

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

Names and synonyms

2 names

Androsta-4,16-dien-3-ol, (3β)-
(3β)-Androsta-4,16-dien-3-ol

Work with Androsta-4,16-dien-3β-ol

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

4-Dehydroepiandrosterone571-44-862 % similar 4-Androstenediol1156-92-960 % similar 5α-Androst-16-en-3α-ol1153-51-144 % similar Dehydroepiandrosterone53-43-038 % similar Androstenedione63-05-838 % similar Epitestosterone481-30-137 % similar Testosterone58-22-037 % similar Estra-1,3,5(10),16-tetraen-3-ol1150-90-937 % similar

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

Same formula

Androstenone18339-16-7 5α-Androst-2-en-17-one963-75-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook