| Name |
trans-3beta-Caffeoyloxy-2alpha-hydroxyurs-12-en-28-oic acid |
| Formula |
C39H54O7 |
| Mw |
634.38695408 |
| CAS RN |
217075-73-5 |
| C_ID |
C00043076
, 
|
| InChIKey |
UBXXINDHMLSJFE-MMHOFDEENA-N |
| InChICode |
InChI=1S/C39H54O7/c1-22-14-17-39(34(44)45)19-18-37(6)25(32(39)23(22)2)10-12-30-36(5)21-28(42)33(35(3,4)29(36)15-16-38(30,37)7)46-31(43)13-9-24-8-11-26(40)27(41)20-24/h8-11,13,20,22-23,28-30,32-33,40-42H,12,14-19,21H2,1-7H3,(H,44,45)/b13-9+/t22-,23+,28-,29+,30-,32+,33+,36+,37-,38-,39+/m1/s1 |
| SMILES |
C1[C@]2([C@H](C([C@H]([C@@H]1O)OC(=O)/C=C/c1ccc(c(c1)O)O)(C)C)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2[C@H]([C@@H](CC1)C)C)C(=O)O)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Myrtaceae | Melaleuca leucadendron  | Ref. |
|
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