Jacobine

Catalog Number	ACM6870673-1
CAS Number	6870-67-3
Synonyms	(20S)-15α,20-Epoxy-15,20-dihydro-12-hydroxysenecionan-11,16-dione
Molecular Weight	351.4
InChI	InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1
InChI Key	IAPHXJRHXBQDQJ-WKMWQDDRSA-N
Melting Point	228 °C
Purity	95%+
Complexity	648
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Exact Mass	351.16818752
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isomeric SMILES	C[C@@H]1C[C@]2([C@@H](O2)C)C(=O)O[C@@H]3CCN4[C@@H]3C(=CC4)COC(=O)[C@]1(C)O
Monoisotopic Mass	351.16818752
PhysicalState	Powder
Rotatable Bond Count	0
Topological Polar Surface Area	88.6 Ų

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