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2311-65-1 | (8r,9s,10r,13s,14s,17r)-10,13-dimethyl-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,3'(2h)-dione
CAS No: 2311-65-1 Catalog No: AG006YHY MDL No:
Product Description
Catalog Number:
AG006YHY
Chemical Name:
(8r,9s,10r,13s,14s,17r)-10,13-dimethyl-1,4',5',6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-3'h-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-3,3'(2h)-dione
CAS Number:
2311-65-1
Molecular Formula:
C22H30O3
Molecular Weight:
342.4718
IUPAC Name:
(8R,9S,10R,13S,14S,17R)-10,13-dimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-3,3'-dione
InChI:
InChI=1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)19(24)8-12-25-22/h13,16-18H,3-12H2,1-2H3/t16-,17+,18+,20+,21+,22+/m1/s1
InChI Key:
RWDIZJOORSGFGK-LHZXLZLDSA-N
SMILES:
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]12OCCC1=O)C)C
NSC Number:
49638
Properties
Complexity:
679
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
6
Defined Bond Stereocenter Count:
0
Exact Mass:
342.219g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.479g/mol
Monoisotopic Mass:
342.219g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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