582315-55-7
BETULIN PALMITATE
Name
BETULIN PALMITATE
Formula
C46 H80 O3
MolWeight
681.135
1Identification
【Name】
BETULIN PALMITATE
【CAS】
【MDL】
MFCD20260594
【English Synonyms】
【Formula】
C46 H80 O3
【MolWeight】
681.135
【Inchi】
InChI=1S/C46H80O3/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)49-39-27-28-43(6)37(42(39,4)5)26-29-45(8)38(43)24-23-36-41-35(34(2)3)25-30-46(41,33-47)32-31-44(36,45)7/h35-39,41,47H,2,9-33H2,1,3-8H3/t35-,36+,37-,38+,39-,41+,43-,44+,45+,46+/m0/s1
【InChIKey】
InChIKey=NAXJLYBHSMUSAV-JGYMROJHSA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)CO)C(=C)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:15.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BETULIN PALMITATE.cml
Quick Release
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