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(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,9b,10,11-octahydrospiro[cyclopenta[a]phenanthrene-5,2'-oxirane]-1,7-dione

(3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,9b,10,11-octahydrospiro[cyclopenta[a]phenanthrene-5,2'-oxirane]-1,7-dione

CAS: 184972-12-1

Formula: C20H24O3

SMILES: C[C@]12CC[C@H]3[C@@H](CC4(CO4)C4=CC(=O)C=C[C@]34C)[C@@H]1CCC2=O

IUPAC: (3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-1,2,3,3a,3b,4,7,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-5,2'-oxirane]-1,7-dione

InChI: InChI=1S/C20H24O3/c1-18-7-5-12(21)9-16(18)20(11-23-20)10-13-14-3-4-17(22)19(14,2)8-6-15(13)18/h5,7,9,13-15H,3-4,6,8,10-11H2,1-2H3/t13-,14+,15+,18-,19+,20?/m0/s1

Composition: C (76.89%), H (7.74%), O (15.36%)

Molar Mass: 312.409

Atom Count: 47

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 6
Exact Mass 312.172544633
Formal Charge 0
FSP3 0.7
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GFNJDRLFFJDJAC-YCNUYBHRSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.89
Topological Polar Surface Area 46.67
Polarizability 34.28
Ring Count 5
Rotatable Bond Count 0

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