200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 86701-33-9
86701-33-9 | (4S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,4-diol
CAS No: 86701-33-9 Catalog No: AG004KJK MDL No:
Product Description
Catalog Number:
AG004KJK
Chemical Name:
(4S,6R)-6-[(1R,3aR,4E,7aS)-4-[(2Z)-2-[(3R,5S)-3,5-dihydroxy-2-methylidene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,4-diol
CAS Number:
86701-33-9
Molecular Formula:
C27H44O4
Molecular Weight:
432.6359
IUPAC Name:
(1S,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,4S)-4,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChI:
InChI=1S/C27H44O4/c1-17(13-22(29)16-26(3,4)31)23-10-11-24-19(7-6-12-27(23,24)5)8-9-20-14-21(28)15-25(30)18(20)2/h8-9,17,21-25,28-31H,2,6-7,10-16H2,1,3-5H3/b19-8+,20-9-/t17-,21+,22+,23-,24+,25-,27-/m1/s1
InChI Key:
NHRGJVVEKNHIIE-CYILUZBGSA-N
SMILES:
O[C@H](CC(O)(C)C)C[C@H]([C@H]1CC[C@H]2[C@@]1(C)CCC/C/2=C\C=C/1\C[C@H](O)C[C@H](C1=C)O)C
Properties
Complexity:
721
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
2
Exact Mass:
432.324g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
432.645g/mol
Monoisotopic Mass:
432.324g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.