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18810-25-8 | Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-hydroxy-, (3β,5β)-
CAS No: 18810-25-8 Catalog No: AG002GOV MDL No:
Product Description
Catalog Number:
AG002GOV
Chemical Name:
Card-20(22)-enolide, 3-[(6-deoxy-3-O-methyl-β-D-galactopyranosyl)oxy]-14-hydroxy-, (3β,5β)-
CAS Number:
18810-25-8
IUPAC Name:
3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3-[(2R,3R,4S,5S,6R)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
InChI:
InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18-,19+,20-,21+,22-,24+,25-,26+,27+,28+,29-,30+/m1/s1
InChI Key:
VPUNMTHWNSJUOG-HYDVPRFCSA-N
Properties
Complexity:
968
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
13
Defined Bond Stereocenter Count:
0
Exact Mass:
534.319g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
534.69g/mol
Monoisotopic Mass:
534.319g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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