67526-95-8
THAPSIGARGIN
Name
THAPSIGARGIN
Formula
C34 H50 O12
MolWeight
650.757
1Identification
【Name】
THAPSIGARGIN
【CAS】
【MDL】
MFCD00083511
【English Synonyms】
【Formula】
C34 H50 O12
【MolWeight】
650.757
【Inchi】
InChI=1S/C34H50O12/c1-9-12-13-14-15-17-24(37)43-28-26-25(20(5)27(28)44-30(38)19(4)11-3)29-34(41,33(8,40)31(39)45-29)22(42-23(36)16-10-2)18-32(26,7)46-21(6)35/h11,22,26-29,40-41H,9-10,12-18H2,1-8H3/b19-11-/t22-,26+,27-,28-,29-,32-,33+,34+/m0/s1
【InChIKey】
InChIKey=IXFPJGBNCFXKPI-FSIHEZPISA-N
【SMILES】
CCCCCCCC(=O)O[C@H]1[C@H]2C(=C([C@@H]1OC(=O)/C(=C\C)/C)C)[C@H]3[C@]([C@H](C[C@]2(C)OC(=O)C)OC(=O)CCC)([C@](C(=O)O3)(C)O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:12
XLogP3:6.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
Acros Organics :THAPSIGARGIN
【Safety informationSymbol】
【Signal word】
【Hazard statements】
【Precautionary statements】
【hazard symbol】
【Risk Code】
【Safe Code】
【WGK Germany】
3
4CML File
THAPSIGARGIN.cml
Quick Release
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