11079-53-1
HYPERFORIN
Name
HYPERFORIN
Formula
C35 H52 O4
MolWeight
536.792
1Identification
【Name】
HYPERFORIN
【CAS】
【MDL】
MFCD01861497
【English Synonyms】
【Formula】
C35 H52 O4
【MolWeight】
536.792
【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
【SMILES】
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
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:12.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
1
4CML File
HYPERFORIN.cml
Quick Release
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