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(1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-3,3a,3b,8,9,9b,10,11-octahydro-2H-spiro[cyclopenta[a]phenanthrene-1,2'-oxiran]-7-one

(1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-3,3a,3b,8,9,9b,10,11-octahydro-2H-spiro[cyclopenta[a]phenanthrene-1,2'-oxiran]-7-one

CAS: 53866-24-3

Formula: C20H26O2

SMILES: [H][C@@]12CC[C@@]3(CO3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C

IUPAC: (1S,3aS,3bR,9aR,9bS,11aS)-9a,11a-dimethyl-2,3,3a,3b,7,8,9,9a,9b,10,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxiran]-7-one

InChI: InChI=1S/C20H26O2/c1-18-8-5-14(21)11-13(18)3-4-15-16(18)6-9-19(2)17(15)7-10-20(19)12-22-20/h3-4,11,15-17H,5-10,12H2,1-2H3/t15-,16+,17+,18+,19+,20-/m1/s1

Composition: C (80.50%), H (8.78%), O (10.72%)

Molar Mass: 298.426

Atom Count: 48

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 6
Exact Mass 298.193280077
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GADUNTRMMINPRO-MPRNQXESSA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.22
Topological Polar Surface Area 29.6
Polarizability 34.21
Ring Count 5
Rotatable Bond Count 0

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 53866-24-3 $33.66-$168.30$33.66$41.82$51.00$92.82$168.30
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