| Name |
Des-N-methylcalyculin A
(-)-Des-N-methylcalyculin A |
| Formula |
C49H79N4O15P |
| Mw |
994.52795437 |
| CAS RN |
187944-08-7 |
| C_ID |
C00038995
, 
|
| InChIKey |
DRJFFABFDXTDCD-YMZINAMDNA-N |
| InChICode |
InChI=1S/C49H79N4O15P/c1-28(19-21-50)15-13-16-29(2)31(4)23-32(5)41(56)34(7)37(54)24-40(64-12)44-45(68-69(60,61)62)48(8,9)49(67-44)25-38(55)33(6)39(66-49)18-14-17-35-26-65-47(53-35)30(3)20-22-52-46(59)43(58)42(57)36(51-10)27-63-11/h13-17,19,23,26,30,32-34,36-45,51,54-58H,18,20,22,24-25,27H2,1-12H3,(H,52,59)(H2,60,61,62)/b15-13+,17-14+,28-19-,29-16+,31-23+/t30-,32+,33-,34-,36-,37-,38+,39-,40-,41+,42-,43-,44+,45+,49+/m0/s1 |
| SMILES |
CN[C@@H](COC)[C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(/C=C/C[C@@H]2O[C@]3(C[C@@H](O)[C@@H]2C)O[C@H]([C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=CC#N)OC)C(OP(=O)(O)O)C3(C)C)co1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Discodermia calyx | Ref. |
|
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