Androstenediol

C19H30O2CAS 521-17-5290.45 g/mol

OHHO
AlcoholAlkene

Properties

Molecular formula
C19H30O2
Molar mass
290.45 g/mol
Exact mass
290.2246 Da
Melting point
184 °C
logP
3.67Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
S, S, R, S, R, S, Sin SMILES atom order

Hazards

Warning
Health Hazard (GHS08)

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
521-17-5
SMILES
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
InChIKey
QADHLRWLCPCEKT-LOVVWNRFSA-N
InChI
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1

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Names and synonyms

14 names · show all
  • Androst-5-ene-3,17-diol, (3β,17β)-
  • Androst-5-ene-3β,17β-diol
  • (3β,17β)-Androst-5-ene-3,17-diol
  • 3β,17β-Dihydroxyandrost-5-ene
  • Androst-5-enediol
  • δ5-Androstenediol
  • δ5-Androstene-3β,17β-diol
  • Hermaphrodiol
  • 3β,17β-Androst-5-enediol
  • NSC 12163
  • HE 2100
  • HE 2100 (estrogen receptor agonist)
  • Neumune
  • (3S,8R,9S,10R,13S, 14S,17S)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol

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Similar compounds

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

Same formula

Elsewhere