Feedback

2-O-caffeoyl maslinic acid

PropertiesImageOccurences in reactions
MNX_IDMNXM101659Image of MNXM101659
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC39H54O7
charge0
mass634.38695
referencechebi:65547
InChIKeyKTFAOIPNIQQKGY-JNMJKHHHSA-N
InChIInChI=1S/C39H54O7/c1-34(2)16-18-39(33(44)45)19-17-37(6)24(25(39)21-34)10-12-30-36(5)22-28(32(43)35(3,4)29(36)14-15-38(30,37)7)46-31(42)13-9-23-8-11-26(40)27(41)20-23/h8-11,13,20,25,28-30,32,40-41,43H,12,14-19,21-22H2,1-7H3,(H,44,45)/b13-9+/t25-,28+,29-,30+,32-,36-,37+,38+,39-/m0/s1
SMILESCC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)/C=C/c6ccc(O)c(O)c6)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:65547
chebi:65547
2-O-caffeoyl maslinic acid
(2alpha,3beta)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-hydroxyolean-12-en-28-oic acid