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25088-82-8

25088-82-8 | Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole, 5,5a,6,8,8a,9-hexahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-

CAS No: 25088-82-8 Catalog No: AG002QFU MDL No:

Product Description

Catalog Number:
AG002QFU
Chemical Name:
Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxole, 5,5a,6,8,8a,9-hexahydro-5-(3,4,5-trimethoxyphenyl)-, (5R,5aR,8aR)-
CAS Number:
25088-82-8
Molecular Formula:
C22H24O6
Molecular Weight:
384.4224
IUPAC Name:
(5R,5aR,8aR)-5-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxole
InChI:
InChI=1S/C22H24O6/c1-23-19-6-13(7-20(24-2)22(19)25-3)21-15-8-18-17(27-11-28-18)5-12(15)4-14-9-26-10-16(14)21/h5-8,14,16,21H,4,9-11H2,1-3H3/t14-,16-,21+/m0/s1
InChI Key:
CKUGPDQJERTFDI-WDUKFBBWSA-N
SMILES:
COc1cc(cc(c1OC)OC)[C@H]1[C@H]2COC[C@@H]2Cc2c1cc1OCOc1c2

Properties

Complexity:
529  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
3  
Defined Bond Stereocenter Count:
0
Exact Mass:
384.157g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
384.428g/mol
Monoisotopic Mass:
384.157g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Literature

Title Journal
Cytotoxic responses to aromatic ring and configurational variations in alpha-conidendrin, podophyllotoxin, and sikkimotoxin derivatives. Journal of medicinal chemistry 20010118

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