HYPERFORIN ,11079-53-1 _Chemical Cloud Database

HYPERFORIN

Basic Information
Product Name：	HYPERFORIN
CAS：	11079-53-1
English Synonyms：	(1S,5S,7S,8R)-1-BUTANOYL-4-HYDROXY-8-METHYL-3,5,7-TRIS(3-METHYLBUT-2-ENYL)-8-(4-METHYLPENT-3-ENYL)BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE ; 4-HYDROXY-6R-METHYL-1R,3,7S-TRIS(3-METHYL-2-BUTENYL)-5S-(2-METHYL-1-OXOPROPYL)-6R-(4-METHYL-3-PENTENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE ; HYPERICUM PERFORATUM L ; HYPERFORIN ; (1R,5S,6R,7S)-4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS(3-METHYLBUT-2-EN-1-YL)-6-(4-METHYLPENT-3-EN-1-YL)BICYCLO[3.3.1]NON-3-ENE-2
MDL Number.：	MFCD01861497
H bond acceptor：	4
H bond donor：	1
Smile：	CC(C)C(=O)[C@]12C(=C(C(=O)[C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)CC=C(C)C)O
InChi：	InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1
InChiKey：	InChIKey=IWBJJCOKGLUQIZ-HQKKAZOISA-N
Property
Comments：	0.3%
Concentration：	0.25mg/mLinmethanol
Safety information
Symbol：	GHS02 GHS06 GHS08
Signal word：	Danger
Hazard statements：	H225-H301 + H311 + H331-H370
Precautionary statements：	P210-P260-P280-P301 + P310-P311
hazard symbol：	F,T
Risk Code：	R:11-23/24/25-39/23/24/25
Safe Code：	S:7-16-36/37-45
WGK Germany：	1

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