estrane

: Iupac Name：(8R,9R,10S,13S,14S)-13-methyl-1,2,3,4,5,6,7,8,9,10,11,12,14,15,16,17-hexadecahydrocyclopenta[a]phenanthrene; CAS No.: 24749-37-9; Molecular Weight：246.4; Modify Date.: 2022-11-05 12:27

1. Names and Identifiers

: 1.1 Name; estrane; 1.2 Synonyms; [8R-(8a,9b,10a,13a,14b)]-Hexadecahydro-13-methyl-1H-cyclopenta[a]phenanthrene 19-Norandrostane 1H-Cyclopenta[a]phenanthrene, hexadecahydro-13-methyl-, [8R-(8a,9b,10a,13a,14b)]-

1.6 Inchi: InChI=1S/C18H30/c1-18-11-4-7-17(18)16-9-8-13-5-2-3-6-14(13)15(16)10-12-18/h13-17H,2-12H2,1H3/t13?,14-,15+,16+,17-,18-/m0/s1

2. Properties

3. Computational chemical data

Molecular Weight: 246.4g/mol
Molecular Formula: C₁₈H₃₀
Compound Is Canonicalized: True
XLogP3-AA: 7.2
Exact Mass: 246.234750957
Monoisotopic Mass: 246.234750957
Complexity: 320
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 0
Topological Polar Surface Area: 0
Heavy Atom Count: 18
Defined Atom Stereocenter Count: 5
Undefined Atom Stereocenter Count: 1
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceB4AAAAAAAAAAAAAAAAAAAAAYAAAAAwYMAAAAAAAGDAAAAAGAAAAAAADwCAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAEAgMAPgAAAAAAAAACAAAQAACAAAAAACAAAAA==

5. Realated Product Infomation

5696-58-2 estrane-3,17-dione

112646-70-5 Estrane, 1,6-hexanediamine deriv.

31658-50-1 17α-Ethyl-5β-estrane-3α,17β-diol

22786-93-2 17α-Hydroxy-5α,10α-estran-3-one

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