8-Deacetyl yunaconitine

Catalog Number	ACM93460550
CAS Number	93460-55-0
Molecular Weight	617.7
InChI	InChI=1S/C33H47NO10/c1-7-34-15-30(16-39-2)20(35)12-21(41-4)33-19-13-31(37)22(42-5)14-32(38,24(27(33)34)25(43-6)26(30)33)23(19)28(31)44-29(36)17-8-10-18(40-3)11-9-17/h8-11,19-28,35,37-38H,7,12-16H2,1-6H3/t19-,20-,21+,22+,23-,24?,25?,26-,27-,28-,30+,31+,32-,33+/m1/s1
InChI Key	DHVYLCVNTWPXSI-HIUSHPNESA-N
Melting Point	101-105 °C
Purity	95%+
Complexity	1120
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	12
Exact Mass	617.3199967
Heavy Atom Count	44
Hydrogen Bond Acceptor Count	11
Hydrogen Bond Donor Count	3
Isomeric SMILES	CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2C(C([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)C7=CC=C(C=C7)OC)O)OC)O)OC)OC)O)COC
Monoisotopic Mass	617.3199967
PhysicalState	Powder
Rotatable Bond Count	10
Topological Polar Surface Area	136 Ų

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