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Rumodolin

CAS No.:
81846-19-7
Catalog Number:
AG005HTM
Molecular Formula:
C23H34O5
Molecular Weight:
390.5131
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$166
- +
2mg
99%
1 week
United States
$240
- +
5mg
99%
1 week
United States
$407
- +
10mg
99%
1 week
United States
$548
- +
25mg
99%
1 week
United States
$1157
- +
Product Description
Catalog Number:
AG005HTM
Chemical Name:
Rumodolin
CAS Number:
81846-19-7
Molecular Formula:
C23H34O5
Molecular Weight:
390.5131
MDL Number:
MFCD00888847
IUPAC Name:
2-[[(1R,2R,3aS,9aS)-2-hydroxy-1-[(3S)-3-hydroxyoctyl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[g]naphthalen-5-yl]oxy]acetic acid
InChI:
InChI=1S/C23H34O5/c1-2-3-4-7-17(24)9-10-18-19-11-15-6-5-8-22(28-14-23(26)27)20(15)12-16(19)13-21(18)25/h5-6,8,16-19,21,24-25H,2-4,7,9-14H2,1H3,(H,26,27)/t16-,17-,18+,19-,21+/m0/s1
InChI Key:
PAJMKGZZBBTTOY-ZFORQUDYSA-N
SMILES:
CCCCC[C@@H](CC[C@H]1[C@H](O)C[C@H]2[C@@H]1Cc1cccc(c1C2)OCC(=O)O)O
UNII:
RUM6K67ESG
Properties
Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
5  
Defined Bond Stereocenter Count:
0
Exact Mass:
390.241g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
390.52g/mol
Monoisotopic Mass:
390.241g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
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