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Home > Other Heterocycles > 36545-76-3
36545-76-3 | SPIRO[ANDROSTANE-17,2'(3'H)-FURAN]
CAS No: 36545-76-3 Catalog No: AG00795A MDL No:
Product Description
Catalog Number:
AG00795A
Chemical Name:
SPIRO[ANDROSTANE-17,2'(3'H)-FURAN]
CAS Number:
36545-76-3
Molecular Formula:
C22H34O
Molecular Weight:
314.5048
IUPAC Name:
(8R,9S,10S,13S,14S)-10,13-dimethylspiro[1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-17,2'-3H-furan]
InChI:
InChI=1S/C22H34O/c1-20-11-4-3-6-16(20)7-8-17-18(20)9-13-21(2)19(17)10-14-22(21)12-5-15-23-22/h5,15-19H,3-4,6-14H2,1-2H3/t16?,17-,18+,19+,20+,21+,22?/m1/s1
InChI Key:
BKRLXYITZISECP-HEEKWQMOSA-N
SMILES:
C[C@]12CCCCC1CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CCC12CC=CO1)C
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
314.261g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.513g/mol
Monoisotopic Mass:
314.261g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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