(2R,19'E)-18'-Demethoxy-2-deoxo-17,17'-dideoxy-2,16':2,17-bisoxy-1,17'-bi(gardneramine oxindole)(CAS No. 56197-32-1)

Details:

【Name】
(2R,19'E)-18'-Demethoxy-2-deoxo-17,17'-dideoxy-2,16':2,17-bisoxy-1,17'-bi(gardneramine oxindole)
【CAS Registry number】
56197-32-1
【Synonyms】
(2R,19'E)-18'-Demethoxy-2-deoxo-17,17'-dideoxy-2,16':2,17-bisoxy-1,17'-bi(gardneramine oxindole)
Gardmultine
【Molecular Formula】
C45H54N4O10 (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C45H54N4O10/c1-9-22-18-48-32-13-26(22)44(34(48)17-42(32)35-37(46-41(42)50)28(52-3)14-30(54-5)39(35)56-7)21-49-38-29(53-4)15-31(55-6)40(57-8)36(38)43-16-27-25(20-58-45(43,49)59-44)24-12-33(43)47(27)19-23(24)10-11-51-2/h9-10,14-15,24-27,32-34H,11-13,16-21H2,1-8H3,(H,46,50)/b22-9+,23-10-
【Canonical SMILES】
CC=C1CN2C3CC1C4(C2CC35C6=C(C(=CC(=C6OC)OC)OC)NC5=O)CN7C8=C(C(=C(C=C8OC)OC)OC)C91C7(O4)OCC2C3CC9N(C2C1)CC3=CCOC
【Isomers smiles】
C/C=C/1\CN2C3CC1C4(C2CC35C6=C(C(=CC(=C6OC)OC)OC)NC5=O)CN7C8=C(C(=C(C=
C8OC)OC)OC)C91C7(O4)OCC2C\3CC9N(C2C1)C/C3=C/COC
Chemical and Physical Properties
【Density】
1.44g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.69
【Flash Point】
°C
【Computed Properties】
Molecular Weight:810.93106 [g/mol]
Molecular Formula:C45H54N4O10
XLogP3-AA:2.4
H-Bond Donor:1
H-Bond Acceptor:13
Rotatable Bond Count:8
Tautomer Count:2
Exact Mass:810.383994
MonoIsotopic Mass:810.383994
Topological Polar Surface Area:122
Heavy Atom Count:59
Formal Charge:0
Complexity:1820
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:11
Defined Bond Stereocenter Count:2
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1