Carmicheline

Catalog Number	ACM39089300
CAS Number	39089-30-0
Structure
Synonyms	Karakoline
Molecular Weight	377.5
InChI	InChI=1S/C22H35NO4/c1-4-23-10-20(2)6-5-16(24)22-12-7-11-14(27-3)9-21(26,17(12)18(11)25)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18+,19?,20+,21+,22-/m1/s1
InChI Key	HKQZUYOVMYOFIT-VHNBHZRZSA-N
Melting Point	185-186 °C
Purity	95%+
Complexity	673
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	11
Exact Mass	377.2566086
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)C
Monoisotopic Mass	377.2566086
PhysicalState	Powder
Rotatable Bond Count	2
Topological Polar Surface Area	73.2 Ų

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