17β-Hydroxyestra-4,9-dien-3-one

C₁₈H₂₄O₂CAS 6218-29-7272.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₂₄O₂
Molar mass: 272.39 g/mol
Exact mass: 272.1776 Da
Melting point: 187–188 °C
logP: 3.55Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

6218-29-7

SMILES

C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O

InChIKey

PUQSDJZESAQGQS-OWSLCNJRSA-N

InChI

InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,15-17,20H,2-9H2,1H3/t15-,16+,17+,18+/m1/s1

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

Names and synonyms

7 names

Estra-4,9-dien-3-one, 17-hydroxy-, (17β)-
Estra-4,9-dien-3-one, 17β-hydroxy-
(17β)-17-Hydroxyestra-4,9-dien-3-one
9,10-Dehydro-19-nortestosterone
4,9-Estradien-17β-ol-3-one
3-Oxo-4,9-estradien-17β-ol
RU 3118

Work with 17β-Hydroxyestra-4,9-dien-3-one

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

Same formula

Estr-5(10)-ene-3,17-dione3962-66-1 Estradiol50-28-2 17α-Estradiol57-91-0 (+)-Estr-4-ene-3,17-dione734-32-7

Elsewhere

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