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Home > Other Heterocycles > 84955-03-3
84955-03-3 | [(25R)-Spirost-5-en-3β-yl]4-O-β-D-glucopyranosyl-6-deoxy-α-L-mannopyranoside
CAS No: 84955-03-3 Catalog No: AG00GKSC MDL No:
Product Description
Catalog Number:
AG00GKSC
Chemical Name:
[(25R)-Spirost-5-en-3β-yl]4-O-β-D-glucopyranosyl-6-deoxy-α-L-mannopyranoside
CAS Number:
84955-03-3
IUPAC Name:
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-2-methyl-6-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C39H62O12/c1-18-8-13-39(46-17-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)48-35-33(45)31(43)34(20(3)47-35)50-36-32(44)30(42)29(41)27(16-40)49-36/h6,18-20,22-36,40-45H,7-17H2,1-5H3/t18-,19+,20+,22+,23-,24+,25+,26+,27-,28+,29-,30+,31+,32-,33-,34+,35+,36+,37+,38+,39-/m1/s1
InChI Key:
XMJMMTPOMBOCHF-VZRMGQPISA-N
Properties
Complexity:
1310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
21
Defined Bond Stereocenter Count:
0
Exact Mass:
722.424g/mol
Formal Charge:
0
Heavy Atom Count:
51
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
722.913g/mol
Monoisotopic Mass:
722.424g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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