Free release

CINOBUFOTALIN

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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

Safety information

Symbol: GHS06 GHS06
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

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