chempirical

Androsta-3,5-diene-7,17-dione

C19H24O2CAS 1420-49-1284.40 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C19H24O2
Molar mass
284.40 g/mol
Exact mass
284.1776 Da
logP
3.86Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0
Stereocentres
S, S, R, S, Rin 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
1420-49-1
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C(=O)C=C4[C@@]3(CCC=C4)C
InChIKey
VHDOTNMSJDQVEE-ZENYQMPMSA-N
InChI
InChI=1S/C19H24O2/c1-18-9-4-3-5-12(18)11-15(20)17-13-6-7-16(21)19(13,2)10-8-14(17)18/h3,5,11,13-14,17H,4,6-10H2,1-2H3/t13-,14-,17-,18-,19-/m0/s1

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

Work with Androsta-3,5-diene-7,17-dione

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

7-Keto-dehydroepiandrosterone566-19-857 % similar 7-Oxodehydroepiandrosterone 3-acetate1449-61-252 % similar Androsta-1,4,6-triene-3,17-dione633-35-244 % similar Androstenedione63-05-844 % similar Androst-4-ene-3,6,17-trione2243-06-341 % similar Dehydroepiandrosterone53-43-041 % similar 5α-Androst-2-en-17-one963-75-741 % similar 4-Dehydroepiandrosterone571-44-840 % similar

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

Same formula

(+)-Estrone 3-methyl ether1624-62-0 4,4'-Isopropylidenedi-2,6-xylol5613-46-7 Androsta-1,4-diene-3,17-dione897-06-3 Methyltrienolone965-93-5

Elsewhere

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