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145937-22-0 | gingerglycolipid A
CAS No: 145937-22-0 Catalog No: AG00B0VF MDL No:
Product Description
Catalog Number:
AG00B0VF
Chemical Name:
gingerglycolipid A
CAS Number:
145937-22-0
IUPAC Name:
[(2S)-2-hydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
InChI:
InChI=1S/C33H56O14/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(36)43-19-22(35)20-44-32-31(42)29(40)27(38)24(47-32)21-45-33-30(41)28(39)26(37)23(18-34)46-33/h3-4,6-7,9-10,22-24,26-35,37-42H,2,5,8,11-21H2,1H3/b4-3-,7-6-,10-9-/t22-,23-,24-,26+,27+,28+,29+,30-,31-,32-,33+/m1/s1
InChI Key:
MPSGDHOYFIUPSO-MDAKJLGTSA-N
Properties
Complexity:
929
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
3
Exact Mass:
676.367g/mol
Formal Charge:
0
Heavy Atom Count:
47
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
8
Isotope Atom Count:
0
Molecular Weight:
676.797g/mol
Monoisotopic Mass:
676.367g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
225A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| [Studies on chemical constituents from roots of Mirabilis jalapa]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20080101 |
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