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19890-58-5 | 5α-Pregna-9(11),16-dien-20-one, 3β-hydroxy-16-methyl-, acetate (7CI,8CI)
CAS No: 19890-58-5 Catalog No: AG002BSS MDL No:
Product Description
Catalog Number:
AG002BSS
Chemical Name:
5α-Pregna-9(11),16-dien-20-one, 3β-hydroxy-16-methyl-, acetate (7CI,8CI)
CAS Number:
19890-58-5
Molecular Formula:
C24H36O4
Molecular Weight:
388.5402
IUPAC Name:
[(8S,10S,13S,14S)-17-acetyl-10,13,16-trimethyl-2,3,4,5,6,7,8,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C24H34O3/c1-14-12-21-19-7-6-17-13-18(27-16(3)26)8-10-23(17,4)20(19)9-11-24(21,5)22(14)15(2)25/h9,17-19,21H,6-8,10-13H2,1-5H3/t17?,18?,19-,21+,23+,24+/m1/s1
InChI Key:
PPEIBJONECDUEC-VKPINXBMSA-N
SMILES:
O[C@H]1CC[C@]2([C@H](C1)CC[C@@H]1C2=CC[C@]2([C@H]1CC(=C2C(=O)C)C)C)C.CC(=O)O
Properties
Complexity:
745
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
370.251g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.533g/mol
Monoisotopic Mass:
370.251g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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