Imperialine 3-beta-D-glucoside

Catalog Number	ACM67968405
CAS Number	67968-40-5
Synonyms	Imperialine 3-β-D-glucoside
Molecular Weight	591.8
InChI	InChI=1S/C33H53NO8/c1-16-4-7-27-33(3,40)22-6-5-18-19(21(22)14-34(27)13-16)11-23-20(18)12-25(36)24-10-17(8-9-32(23,24)2)41-31-30(39)29(38)28(37)26(15-35)42-31/h16-24,26-31,35,37-40H,4-15H2,1-3H3/t16-,17-,18+,19+,20-,21-,22+,23-,24+,26+,27-,28+,29-,30+,31+,32+,33-/m0/s1
InChI Key	DHQFYEJMFMYGCV-DLJWJMOOSA-N
Purity	95%+
Complexity	1040
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	17
Exact Mass	591.37711765
Heavy Atom Count	42
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	5
Isomeric SMILES	C[C@H]1CC[C@H]2[C@@]([C@@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)(C)O
Monoisotopic Mass	591.37711765
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	140 Ų

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