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(1'R,3'aR,8'aS,9'S,9'aS)-1'-methyl-3'-oxo-N,N-diphenyl-1',3'a,5',7',8',8'a,9',9'a-octahydrospiro[1,3-dioxolane-2,6'-naphtho[2,3-c]furan]-9'-carboxamide

(1'R,3'aR,8'aS,9'S,9'aS)-1'-methyl-3'-oxo-N,N-diphenyl-1',3'a,5',7',8',8'a,9',9'a-octahydrospiro[1,3-dioxolane-2,6'-naphtho[2,3-c]furan]-9'-carboxamide

CAS: 900160-98-7

Formula: C28H29NO5

SMILES: C[C@H]1OC(=O)[C@@H]2C=C3CC4(CC[C@H]3[C@@H]([C@H]12)C(=O)N(C1=CC=CC=C1)C1=CC=CC=C1)OCCO4

IUPAC: (1'R,3'aR,8'aS,9'S,9'aS)-1'-methyl-3'-oxo-N,N-diphenyl-3',3'a,5',7',8',8'a,9',9'a-octahydro-1'H-spiro[1,3-dioxolane-2,6'-naphtho[2,3-c]furan]-9'-carboxamide

InChI: InChI=1S/C28H29NO5/c1-18-24-23(27(31)34-18)16-19-17-28(32-14-15-33-28)13-12-22(19)25(24)26(30)29(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,16,18,22-25H,12-15,17H2,1H3/t18-,22-,23-,24-,25+/m1/s1

Composition: C (73.18%), H (6.36%), N (3.05%), O (17.41%)

Molar Mass: 459.542

Atom Count: 63

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 5
Exact Mass 459.204573038
Formal Charge 0
FSP3 0.43
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey TTXWPSXSTDLJEP-BQJLFWIDSA-N
Lipinski's Rule of Five 1
Molar Refractivity 126.82
Topological Polar Surface Area 65.07
Polarizability 49.56
Ring Count 6
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <5 Days 900160-98-7 $52.96-$69.36$52.96$69.36
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