200,000+ products from a single source!
sales@angenechem.com
117479-87-5 | Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, (1aR,1bS,2S,5aR,6R,6aS)-
CAS No: 117479-87-5 Catalog No: AG000ECM MDL No:MFCD20274707
Product Description
Catalog Number:
AG000ECM
Chemical Name:
Oxireno[4,5]cyclopenta[1,2-c]pyran-5-carboxylic acid, 2-(β-D-glucopyranosyloxy)-1a,1b,2,5a,6,6a-hexahydro-5a,6-dihydroxy-1a-methyl-, methyl ester, (1aR,1bS,2S,5aR,6R,6aS)-
CAS Number:
117479-87-5
MDL Number:
MFCD20274707
IUPAC Name:
methyl (1S,2R,4S,5R,6R,10S)-5,6-dihydroxy-2-methyl-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-ene-7-carboxylate
InChI:
InChI=1S/C17H24O12/c1-16-10-15(28-14-9(21)8(20)7(19)6(3-18)27-14)26-4-5(13(23)25-2)17(10,24)11(22)12(16)29-16/h4,6-12,14-15,18-22,24H,3H2,1-2H3/t6-,7-,8+,9-,10-,11-,12+,14+,15+,16-,17+/m1/s1
InChI Key:
XZVXEPPPQBLGMQ-HISQCTEXSA-N
Properties
Complexity:
713
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
11
Defined Bond Stereocenter Count:
0
Exact Mass:
420.127g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
420.367g/mol
Monoisotopic Mass:
420.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
188A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1
Literature
| Title | Journal |
|---|---|
| [Study on the chemical constituents of Phlomis younghusbandii]. | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20101201 |
| [Studies on the chemical constituents of Phlomis younghusbandii]. | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20071001 |
| [Studies on chemical constituents in root of Phlomis medicinalis I]. | Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20060401 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.