ROTTLERIN ,82-08-6 _Chemical Cloud Database

ROTTLERIN

Basic Information
Product Name：	ROTTLERIN
CAS：	82-08-6
English Synonyms：	1-[6-[(3-ACETYL-2,4,6-TRIHYDROXY-5-METHYLPHENYL)METHYL]-5,7-DIHYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-8-YL]-3-PHENYL-2-PROPEN-1-ONE ; 3'-[(8-CINNAMOYL-5,7-DIHYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-6-YL)METHYL]-2',4',6'-TRIHYDROXY-5'-METHYLACETOPHENONE ; ROTTLERIN ; KAMALIN ; 2-PROPEN-1-ONE, 1-[6-[(3-ACETYL-2,4,6-TRIHYDROXY-5-METHYLPHENYL)METHYL]-5,7-DIHYDROXY-2,2-DIMETHYL-2H-1-BENZOPYRAN-8-YL]-3-PHENYL-, (2E)- ; MALLOTOXIN
MDL Number.：	MFCD00017361
H bond acceptor：	8
H bond donor：	5
Smile：	Cc1c(c(c(c(c1O)C(=O)C)O)Cc2c(c3c(c(c2O)C(=O)/C=C/c4ccccc4)OC(C=C3)(C)C)O)O
InChi：	InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3/b11-10+
InChiKey：	InChIKey=DEZFNHCVIZBHBI-ZHACJKMWSA-N
Property
Melting Point：	>200
Comments：	EINECS: 201-395-4 HARMFUL IF SWALLOWED HAZARD CODE XN HAZARD: R22 RTECS: AM6913800
Safety information
WGK Germany：	3

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