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51744-92-4
TOCOPHERYL LINOLEATE
Name
TOCOPHERYL LINOLEATE
Formula
C47 H80 O3
MolWeight
693.146
1Identification
【Name】
TOCOPHERYL LINOLEATE
【CAS】
【MDL】
MFCD01940653
【English Synonyms】
【Formula】
C47 H80 O3
【MolWeight】
693.146
【Inchi】
InChI=1S/C47H80O3/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-44(48)49-45-40(6)41(7)46-43(42(45)8)34-36-47(9,50-46)35-27-32-39(5)31-26-30-38(4)29-25-28-37(2)3/h14-15,17-18,37-39H,10-13,16,19-36H2,1-9H3/b15-14-,18-17-/t38-,39-,47-/m1/s1
【InChIKey】
InChIKey=OFUHPGMOWVHNPN-QWZFGMNQSA-N
【SMILES】
CCCCC/C=C\C/C=C\CCCCCCCC(=O)Oc1c(c(c2c(c1C)CC[C@@](O2)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:19.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TOCOPHERYL LINOLEATE.cml
Quick Release
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