Molecular Structure:
CCD No.:CCD00178846
YUNACONITINE
CAS No.:
70578-24-4
Formula:C35 H49 N O11
MolWeight:659.768
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| Product Name： | YUNACONITINE |
| CAS： | 70578-24-4 |
| English Synonyms： | YUNACONITINE ; (1ALPHA,3ALPHA,6ALPHA,14ALPHA,16BETA)-8-ACETOXY-20-ETHYL-3,13-DIHYDROXY-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)ACONITAN-14-YL 4-METHOXYB |
| MDL Number.： | MFCD00880612 |
| H bond acceptor： | 12 |
| H bond donor： | 2 |
| Smile： | CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H]([C@H]31)[C@]5(C[C@@H]([C@]6(C[C@@H]4[C@@H]5[C@H]6OC(=O)c7ccc(cc7)OC)O)OC)OC(=O)C)OC)OC)O)COC |
| InChi： | InChI=1S/C35H49NO11/c1-8-36-16-32(17-41-3)22(38)13-23(43-5)35-21-14-33(40)24(44-6)15-34(47-18(2)37,26(29(35)36)27(45-7)28(32)35)25(21)30(33)46-31(39)19-9-11-20(42-4)12-10-19/h9-12,21-30,38,40H,8,13-17H2,1-7H3/t21-,22-,23+,24+,25-,26+,27+,28-,29-,30-,32+,33+,34-,35+/m1/s1 |
| InChiKey： | InChIKey=LLEMSCWAKNQHHA-IWXJPZPUSA-N |
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| Comments： | APPEARANCE: WHITE CRYSTALS |
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Basic Information
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