269742-39-4
16-ACETOXY-7-O-ACETYLHORMINONE
Name
16-ACETOXY-7-O-ACETYLHORMINONE
Formula
C24 H32 O7
MolWeight
432.51
1Identification
【Name】
16-ACETOXY-7-O-ACETYLHORMINONE
【CAS】
【MDL】
MFCD17214870
【English Synonyms】
【Formula】
C24 H32 O7
【MolWeight】
432.51
【Inchi】
InChI=1S/C24H32O7/c1-12(11-30-13(2)25)17-20(27)18-15(31-14(3)26)10-16-23(4,5)8-7-9-24(16,6)19(18)22(29)21(17)28/h12,15-16,28H,7-11H2,1-6H3/t12?,15-,16-,24-/m1/s1
【InChIKey】
InChIKey=YWASIXNBVRBKEG-IJKHBTSFSA-N
【SMILES】
CC(COC(=O)C)C1=C(C(=O)C2=C(C1=O)[C@@H](C[C@H]3[C@]2(CCCC3(C)C)C)OC(=O)C)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
16-ACETOXY-7-O-ACETYLHORMINONE.cml
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