Rauvotetraphylline B

Catalog Number	ACM1422506500
CAS Number	1422506-50-0
Molecular Weight	547.6
InChI	InChI=1S/C31H37N3O6/c1-4-16-18-11-23-26-19(17-7-5-6-8-20(17)33-26)12-22(25(18)21-10-14(2)9-15(3)32-21)34(23)30(16)40-31-29(38)28(37)27(36)24(13-35)39-31/h4-10,18,22-25,27-31,33,35-38H,11-13H2,1-3H3/b16-4+/t18-,22+,23+,24-,25?,27-,28+,29-,30-,31+/m1/s1
InChI Key	UCCMUMCXKRGZPN-LEPJVDAWSA-N
Purity	95%+
Complexity	967
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	9
Exact Mass	547.26823591
Heavy Atom Count	40
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	5
Isomeric SMILES	C/C=C/1\[C@H]2C[C@H]3C4=C(C[C@@H](C2C5=CC(=CC(=N5)C)C)N3[C@@H]1O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C7=CC=CC=C7N4
Monoisotopic Mass	547.26823591
PhysicalState	Powder
Rotatable Bond Count	4
Topological Polar Surface Area	131 Ų

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