16-Oxoprometaphanine

CAS	58738-31-1
Synonyms	Hasubanan-16-one, 6,7-didehydro-8,10-epoxy-8-hydroxy-3,4,7-trimethoxy-17-methyl-, (8β,10β)- (9CI)
IUPAC Name	(1R,8S,10S)-8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraene-11,16-dione
Molecular Weight	373.4
Molecular Formula	C20H23NO6
Canonical SMILES	CN1C(=O)C[C@@]23[C@@]1(C[C@@H](C4=C2C(=C(C=C4)OC)OC)O)C(=O)C(=CC3)OC
InChI	InChI=1S/C20H23NO6/c1-21-15(23)10-19-8-7-14(26-3)18(24)20(19,21)9-12(22)11-5-6-13(25-2)17(27-4)16(11)19/h5-7,12,22H,8-10H2,1-4H3/t12-,19+,20+/m0/s1
InChI Key	ZLACZJGCNXVIAX-NXXCRTJYSA-N
Boiling Point	616.4±55.0 °C
Purity	98%
Density	1.42±0.1 g/ml
pKa	10.91±0.40
Appearance	Solid