Name: | CINOBUFOTALIN |
CAS: | 1108-68-5 |
Synonyms: | 14,15BETA-EPOXY-3BETA,5ALPHA,16BETA-TRIHYDROXY-5BETA,20(22)-BUFADIENOLIDE 16-ACETATE ; 5BETA,20(22)-BUFADIENOLIDE-14,15BETA-EPOXY-3BETA,5ALPHA,16BETA-TRIOL 16-ACETATE ; 20,22,5BETA-BUFADIENOLID-14BETA,15BETA-EPOXY-3BETA, 5BETA, 6BETA-TRIOL-16-ACETATE ; CINOBUFOTALIN |
MDL.: | MFCD00055946 |
H bond acceptor: | 7 |
H bond donor: | 2 |
Smile: | CC(=O)O[C@@H]1[C@@H]([C@]2(CC[C@H]3[C@H]([C@]24[C@@H]1O4)CC[C@]5([C@@]3(CC[C@@H](C5)O)C)O)C)c6ccc(=O)oc6 |
InChi: | InChI=1S/C26H34O7/c1-14(27)32-21-20(15-4-5-19(29)31-13-15)24(3)10-7-17-18(26(24)22(21)33-26)8-11-25(30)12-16(28)6-9-23(17,25)2/h4-5,13,16-18,20-22,28,30H,6-12H2,1-3H3/t16-,17-,18+,20-,21+,22+,23+,24+,25-,26-/m0/s1 |
InChiKey: | InChIKey=KBKUJJFDSHBPPA-BVJBAGOWSA-N |
Property |
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Safety information |
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Symbol: |
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Signal word: | Danger |
Hazard statements: | H300-H310-H330 |
Precautionary statements: | P260-P264-P280-P284-P302 + P350-P310 |
hazard symbol: | T+ |
Risk Code: | R:26/27/28 |
Safe Code: | S:22-36/37/39-45 |
WGK Germany: | 3 |
CINOBUFOTALIN
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