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119459-76-6 | Card-20(22)-enolide, 12,14,19-trihydroxy-2,3-[[(2S,3S,4S,6S)-tetrahydro-3,4-dihydroxy-6-(hydroxymethyl)-2H-pyran-3,2-diyl]bis(oxy)]-, (3β,5α,12β)-
CAS No: 119459-76-6 Catalog No: AG000IUE MDL No:
Product Description
Catalog Number:
AG000IUE
Chemical Name:
Card-20(22)-enolide, 12,14,19-trihydroxy-2,3-[[(2S,3S,4S,6S)-tetrahydro-3,4-dihydroxy-6-(hydroxymethyl)-2H-pyran-3,2-diyl]bis(oxy)]-, (3β,5α,12β)-
CAS Number:
119459-76-6
IUPAC Name:
3-[(1S,3S,5S,6S,8S,10S,14R,15S,17R,18S,19R,23R)-5,6,17,22-tetrahydroxy-8,14-bis(hydroxymethyl)-18-methyl-4,9,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosan-19-yl]-2H-furan-5-one
InChI:
InChI=1S/C29H42O11/c1-26-17(14-6-24(34)37-12-14)4-5-28(26,35)18-3-2-15-7-20-21(10-27(15,13-31)19(18)9-22(26)32)39-25-29(36,40-20)23(33)8-16(11-30)38-25/h6,15-23,25,30-33,35-36H,2-5,7-13H2,1H3/t15-,16-,17+,18+,19-,20-,21?,22+,23-,25-,26-,27+,28?,29-/m0/s1
InChI Key:
PKXHXJCYJPHQNB-WKCCLVTPSA-N
Properties
Complexity:
1080
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
12
Defined Bond Stereocenter Count:
0
Exact Mass:
566.273g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
566.644g/mol
Monoisotopic Mass:
566.273g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
175A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2
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