21416-53-5
PICROTIN
Name
PICROTIN
Formula
C15 H18 O7
MolWeight
310.3
1Identification
【Name】
PICROTIN
【CAS】
【MDL】
MFCD00868514
【English Synonyms】
【Formula】
C15 H18 O7
【MolWeight】
310.3
【Inchi】
InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1
【InChIKey】
InChIKey=RYEFFICCPKWYML-QCGISDTRSA-N
【SMILES】
C[C@@]12[C@H]3[C@H]4[C@H]([C@@H]([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PICROTIN.cml
Quick Release
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