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methyl (1R,3aS,3bR,4R,9aS,11aS)-9a,11a-dimethyl-5',7-dioxo-3,3a,3b,4,5,8,9,11-octahydro-2H-spiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-4-carboxylate

methyl (1R,3aS,3bR,4R,9aS,11aS)-9a,11a-dimethyl-5',7-dioxo-3,3a,3b,4,5,8,9,11-octahydro-2H-spiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-4-carboxylate

CAS: 95716-70-4

Formula: C24H30O5

SMILES: COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2=CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12

IUPAC: methyl (1R,3aS,3bR,4R,9aS,11aS)-9a,11a-dimethyl-5',7-dioxo-2,3,3a,3b,4,5,7,8,9,9a,11,11a-dodecahydrospiro[cyclopenta[a]phenanthrene-1,2'-oxolane]-4-carboxylate

InChI: InChI=1S/C24H30O5/c1-22-8-4-15(25)12-14(22)13-16(21(27)28-3)20-17(22)5-9-23(2)18(20)6-10-24(23)11-7-19(26)29-24/h5,12,16,18,20H,4,6-11,13H2,1-3H3/t16-,18+,20-,22+,23+,24-/m1/s1

Composition: C (72.34%), H (7.59%), O (20.07%)

Molar Mass: 398.499

Atom Count: 59

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 6
Exact Mass 398.209324066
Formal Charge 0
FSP3 0.71
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GWEKWJOSBYDYDP-DPOGTSLVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 108.23
Topological Polar Surface Area 69.67
Polarizability 42.43
Ring Count 5
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 95716-70-4 $161.41-$1,349.27$161.41$450.18$1,349.27
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