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141731-76-2 | 5H,9H,13H,21H,25H-Dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosin-5,9,13,21,25-pentone, 7,8,11,12,15,16,23,24,27,28-decahydro-2,4,18,20-tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-, (7R,11S,15R,23R,27R)-
CAS No: 141731-76-2 Catalog No: AG001GYO MDL No:
Product Description
Catalog Number:
AG001GYO
Chemical Name:
5H,9H,13H,21H,25H-Dibenzo[k,u][1,5,9,15,19]pentaoxacyclotetracosin-5,9,13,21,25-pentone, 7,8,11,12,15,16,23,24,27,28-decahydro-2,4,18,20-tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-, (7R,11S,15R,23R,27R)-
CAS Number:
141731-76-2
Molecular Formula:
C32H38O15
Molecular Weight:
662.6351
IUPAC Name:
(4R,8R,18R,22S,26R)-12,14,30,32-tetrahydroxy-22-(hydroxymethyl)-4,8,18,26-tetramethyl-3,7,17,21,25-pentaoxatricyclo[26.4.0.010,15]dotriaconta-1(28),10(15),11,13,29,31-hexaene-2,6,16,20,24-pentone
InChI:
InChI=1S/C32H38O15/c1-15-5-19-9-21(34)11-24(36)29(19)32(42)46-18(4)8-27(39)47-23(14-33)13-28(40)44-16(2)6-20-10-22(35)12-25(37)30(20)31(41)45-17(3)7-26(38)43-15/h9-12,15-18,23,33-37H,5-8,13-14H2,1-4H3/t15-,16-,17-,18-,23+/m1/s1
InChI Key:
QFILNQIVBJLREP-RZOYPLJHSA-N
SMILES:
OC[C@H]1OC(=O)C[C@@H](C)OC(=O)c2c(C[C@@H](C)OC(=O)C[C@H](OC(=O)c3c(C[C@H](OC(=O)C1)C)cc(O)cc3O)C)cc(cc2O)O
Properties
Complexity:
1100
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
662.221g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
662.641g/mol
Monoisotopic Mass:
662.221g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
233A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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