5973-06-8
BETA-AMYRIN PALMITATE
Name
BETA-AMYRIN PALMITATE
Formula
C46 H80 O2
MolWeight
665.136
1Identification
【Name】
BETA-AMYRIN PALMITATE
【CAS】
【MDL】
MFCD06198942
【English Synonyms】
【Formula】
C46 H80 O2
【MolWeight】
665.136
【Inchi】
InChI=1S/C46H80O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-40(47)48-39-27-28-44(7)37(42(39,4)5)26-29-46(9)38(44)25-24-35-36-34-41(2,3)30-31-43(36,6)32-33-45(35,46)8/h24,36-39H,10-23,25-34H2,1-9H3/t36-,37-,38+,39-,43+,44-,45+,46+/m0/s1
【InChIKey】
InChIKey=VFSRKCNYYCXRGI-JWDOTDQPSA-N
【SMILES】
CCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C)C)C)C
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:17.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BETA-AMYRIN PALMITATE.cml
Quick Release
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