200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 102694-30-4
102694-30-4 | Peryleno[1,2-b]oxirene-7,11-dione, 7a,8a,8b,8c,9,10-hexahydro-1,6,8c,9-tetrahydroxy-, (7aR,8aR,8bS,8cR,9S)-
CAS No: 102694-30-4 Catalog No: AG00085H MDL No:
Product Description
Catalog Number:
AG00085H
Chemical Name:
Peryleno[1,2-b]oxirene-7,11-dione, 7a,8a,8b,8c,9,10-hexahydro-1,6,8c,9-tetrahydroxy-, (7aR,8aR,8bS,8cR,9S)-
CAS Number:
102694-30-4
Molecular Formula:
C20H14O7
Molecular Weight:
366.3210
IUPAC Name:
(9S,10R,11S,12R,14R)-5,9,10,17-tetrahydroxy-13-oxahexacyclo[9.8.1.12,6.012,14.016,20.010,21]henicosa-1(20),2(21),3,5,16,18-hexaene-7,15-dione
InChI:
InChI=1S/C20H14O7/c21-8-4-2-7-6-1-3-9(22)14-12(6)16(18-19(27-18)17(14)25)20(26)11(24)5-10(23)13(8)15(7)20/h1-4,11,16,18-19,21-22,24,26H,5H2/t11-,16-,18+,19-,20-/m0/s1
InChI Key:
CWLFJXQTLUVHKQ-KLFMHZEUSA-N
SMILES:
Oc1ccc2c3c1C(=O)[C@@H]1O[C@@H]1[C@H]3[C@]1(c3c2ccc(c3C(=O)C[C@@H]1O)O)O
Properties
Complexity:
723
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
5
Defined Bond Stereocenter Count:
0
Exact Mass:
366.074g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
366.325g/mol
Monoisotopic Mass:
366.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.