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17780-46-0

17780-46-0 | 3'H-Cycloprop[2,3]androst-2-en-17-ol, 2,3-dihydro-, (2β,3β,5α,17β)- (9CI)

CAS No: 17780-46-0 Catalog No: AG0025KF MDL No:

Product Description

Catalog Number:
AG0025KF
Chemical Name:
3'H-Cycloprop[2,3]androst-2-en-17-ol, 2,3-dihydro-, (2β,3β,5α,17β)- (9CI)
CAS Number:
17780-46-0
Molecular Formula:
C20H32O
Molecular Weight:
288.4675
IUPAC Name:
(1S,2S,4R,6S,8S,11R,12S,15S,16S)-2,16-dimethylpentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol
InChI:
InChI=1S/C20H32O/c1-19-8-7-17-15(16(19)5-6-18(19)21)4-3-14-10-12-9-13(12)11-20(14,17)2/h12-18,21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-,20-/m0/s1
InChI Key:
SDVNQAPIRLBPJV-PEACWCRISA-N
SMILES:
O[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CC[C@@H]2[C@]1(C)C[C@H]1C[C@H]1C2

Properties

Complexity:
459  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
9  
Defined Bond Stereocenter Count:
0
Exact Mass:
288.245g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.475g/mol
Monoisotopic Mass:
288.245g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6  

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