| Name |
3beta,23,28-Trihydroxy-12-oleanene 3beta-caffeate
(+)-3beta,23,28-Trihydroxy-12-oleanene 3beta-caffeate |
| Formula |
C39H56O6 |
| Mw |
620.40768952 |
| CAS RN |
226406-74-2 |
| C_ID |
C00049085
, 
|
| InChIKey |
VEOYEUQHJXNXHF-LYGOVQIFNA-N |
| InChICode |
InChI=1S/C39H56O6/c1-34(2)17-19-39(24-41)20-18-37(5)26(27(39)22-34)9-11-31-35(3)15-14-32(36(4,23-40)30(35)13-16-38(31,37)6)45-33(44)12-8-25-7-10-28(42)29(43)21-25/h7-10,12,21,27,30-32,40-43H,11,13-20,22-24H2,1-6H3/b12-8+/t27-,30+,31+,32-,35-,36-,37+,38+,39+/m0/s1 |
| SMILES |
C1[C@]2([C@H]([C@]([C@H](C1)OC(=O)/C=C/c1ccc(c(c1)O)O)(C)CO)CC[C@@]1([C@@H]2CC=C2[C@]1(CC[C@@]1([C@H]2CC(CC1)(C)C)CO)C)C)C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Malvaceae | Hibiscus syriacus  | Ref. |
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