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30343-72-7 | (3S,4'S,9aβ,9''aβ)-6α,6''α-Di-(3-furyl)-1,6,7,8,9,9a,1'',6'',7'',8'',9'',9a''-dodecahydro-9β,9''β-dimethyldispiro[2H-quinolizine-3(4H),2'(3'H)-thiophene-4'(5'H),3''(4''H)-[2H]quinolizine]
CAS No: 30343-72-7 Catalog No: AG00BWLF MDL No:
Product Description
Catalog Number:
AG00BWLF
Chemical Name:
(3S,4'S,9aβ,9''aβ)-6α,6''α-Di-(3-furyl)-1,6,7,8,9,9a,1'',6'',7'',8'',9'',9a''-dodecahydro-9β,9''β-dimethyldispiro[2H-quinolizine-3(4H),2'(3'H)-thiophene-4'(5'H),3''(4''H)-[2H]quinolizine]
CAS Number:
30343-72-7
InChI:
InChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1
InChI Key:
WBMOHCBEBDKSBI-JYZUVFRYSA-N
Properties
Complexity:
782
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
0
Exact Mass:
494.297g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
494.738g/mol
Monoisotopic Mass:
494.297g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
Literature
| Title | Journal |
|---|---|
| Potent anti-metastatic activity of dimeric sesquiterpene thioalkaloids from the rhizome of Nuphar pumilum. | Bioorganic & medicinal chemistry letters 20031215 |
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