Carmichaenine C

Carmichaenine C

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Catalog Number ACM2065228615
CAS Number 2065228-61-5
Molecular Weight 527.6
InChI InChI=1S/C30H41NO7/c1-4-31-14-28(15-36-2)11-10-20(32)30-18-12-17-19(37-3)13-29(35,22(26(30)31)23(33)25(28)30)21(18)24(17)38-27(34)16-8-6-5-7-9-16/h5-9,17-26,32-33,35H,4,10-15H2,1-3H3/t17-,18-,19+,20+,21-,22,23+,24+,25-,26-,28+,29-,30+/m1/s1
InChI Key DQTNVONSIQDYGN-APBCSOOVSA-N
Purity 95%+
Complexity 957
Covalently-Bonded Unit Count 1
Defined Atom Stereocenter Count 12
Exact Mass 527.28830265
Heavy Atom Count 38
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 3
Isomeric SMILES CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H](C([C@H]31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=CC=C7)OC)O)O)O)COC
Monoisotopic Mass 527.28830265
PhysicalState Powder
Rotatable Bond Count 7
Topological Polar Surface Area 109 Ų

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