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40574-52-5

40574-52-5 | (2'R,4aR,4bS,6aS,9aS,9bR,9cR,10aR)-4a,6a-dimethyl-4,4a,4b,5,6,6a,9,9a,9b,9c,10,10a-dodecahydro-2H,3'H-spiro[cyclopenta[a]cyclopropa[l]phenanthrene-7,2'-furan]-2,5'(3H,4'H,8H)-dione

CAS No: 40574-52-5 Catalog No: AG01DFPX MDL No:

Product Description

Catalog Number:
AG01DFPX
Chemical Name:
(2'R,4aR,4bS,6aS,9aS,9bR,9cR,10aR)-4a,6a-dimethyl-4,4a,4b,5,6,6a,9,9a,9b,9c,10,10a-dodecahydro-2H,3'H-spiro[cyclopenta[a]cyclopropa[l]phenanthrene-7,2'-furan]-2,5'(3H,4'H,8H)-dione
CAS Number:
40574-52-5
Molecular Formula:
C23H30O3
Molecular Weight:
354.4825
IUPAC Name:
(1'R,2'R,4'R,5R,10'R,11'S,14'S,18'S)-10',14'-dimethylspiro[oxolane-5,15'-pentacyclo[9.7.0.02,4.05,10.014,18]octadec-5-ene]-2,7'-dione
InChI:
InChI=1S/C23H30O3/c1-21-7-3-13(24)11-18(21)14-12-15(14)20-16(21)4-8-22(2)17(20)5-9-23(22)10-6-19(25)26-23/h11,14-17,20H,3-10,12H2,1-2H3/t14-,15+,16+,17+,20-,21-,22+,23-/m1/s1
InChI Key:
RRHHMFQGHCFGMH-VAFIVCJBSA-N
SMILES:
O=C1CC[C@]2(C(=C1)[C@@H]1C[C@@H]1[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]12CCC(=O)O1)C)C

Properties

Complexity:
753  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
8  
Defined Bond Stereocenter Count:
0
Exact Mass:
354.219g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
354.49g/mol
Monoisotopic Mass:
354.219g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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