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63492-69-3 | Lithospermoside
CAS No: 63492-69-3 Catalog No: AG003RCE MDL No:MFCD20527295
Product Description
Catalog Number:
AG003RCE
Chemical Name:
Lithospermoside
CAS Number:
63492-69-3
MDL Number:
MFCD20527295
IUPAC Name:
(2Z)-2-[(4R,5S,6S)-4,5-dihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
InChI:
InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2/b6-3-/t7-,8-,9+,10-,11+,12-,13+,14+/m1/s1
InChI Key:
WIIDBJNWXCWLKF-VVAXPEBGSA-N
Properties
Complexity:
526
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
8
Defined Bond Stereocenter Count:
1
Exact Mass:
329.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
329.305g/mol
Monoisotopic Mass:
329.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.3
Literature
| Title | Journal |
|---|---|
| Tylosema esculentum extractives and their bioactivity. | Bioorganic & medicinal chemistry 20110901 |
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