263844-80-0
3-ACETOXY-27-HYDROXY-20(29)-LUPEN-28-OIC ACID METHYL ESTER
Name3-ACETOXY-27-HYDROXY-20(29)-LUPEN-28-OIC ACID METHYL ESTER
1Identification
【Name】
3-ACETOXY-27-HYDROXY-20(29)-LUPEN-28-OIC ACID METHYL ESTER
【CAS】
【MDL】
MFCD17214840
【English Synonyms】
【Formula】
C33 H52 O5
【MolWeight】
528.769
【Inchi】
InChI=1S/C33H52O5/c1-20(2)22-11-16-32(28(36)37-8)17-18-33(19-34)23(27(22)32)9-10-25-30(6)14-13-26(38-21(3)35)29(4,5)24(30)12-15-31(25,33)7/h22-27,34H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26+,27-,30-,31+,32-,33-/m0/s1
【InChIKey】
InChIKey=XQEGNJRCYISSOX-VKTUQBQISA-N
【SMILES】
CC(=C)[C@@H]1CC[C@]2([C@@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@H](C([C@@H]5CC[C@]4([C@@]3(CC2)CO)C)(C)C)OC(=O)C)C)C(=O)OC
【MOL File】
3-ACETOXY-27-HYDROXY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ACETOXY-27-HYDROXY-20(29)-LUPEN-28-OIC ACID METHYL ESTER.cml