| Name |
Protoceratin IV |
| Formula |
C71H108O33S2 |
| Mw |
1552.62142744 |
| CAS RN |
763141-94-2 |
| C_ID |
C00043854
, 
|
| InChIKey |
ZJTITASPJMPBKT-ZKBYWEORNA-N |
| InChICode |
InChI=1S/C71H108O33S2/c1-10-12-32(2)13-17-67(5,79)62-34(4)21-43-42(95-62)27-53-71(9,102-43)63(100-66-59(78)56(75)49(98-66)31-87-65-58(77)55(74)48(97-65)30-86-64-57(76)54(73)47(29-72)96-64)61-46(94-53)25-45-60(99-61)33(3)14-18-69(7)51(93-45)28-50-70(8,104-69)19-15-35-36(92-50)22-38-37(89-35)23-39-40(90-38)24-44-41(91-39)26-52(103-106(83,84)85)68(6,101-44)16-11-20-88-105(80,81)82/h10,13,17,33,35-66,72-79H,1-2,4,11-12,14-16,18-31H2,3,5-9H3,(H,80,81,82)(H,83,84,85)/b17-13+/t33-,35-,36+,37+,38-,39-,40+,41+,42+,43-,44-,45-,46+,47+,48+,49-,50-,51+,52+,53-,54+,55-,56-,57+,58-,59+,60+,61-,62-,63+,64+,65+,66+,67+,68+,69-,70+,71+/m0/s1 |
| SMILES |
C=CCC(=C)/C=C/[C@@](C)(O)[C@H]1O[C@@H]2C[C@@H]3O[C@@H]4C[C@@H]5O[C@@H]6C[C@@H]7O[C@@H]8C[C@@H]9O[C@@H]%10C[C@@H]%11O[C@](C)(CCCOS(=O)(=O)O)C(OS(=O)(=O)O)C[C@H]%11O[C@H]%10C[C@H]9O[C@H]8CC[C@@]7(C)O[C@@]6(C)CC[C@H](C)[C@H]5O[C@H]4[C@@H](O[C@H]4O[C@@H](CO[C@H]5O[C@@H](COC6O[C@@H](CO)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@@]3(C)O[C@H]2CC1=C |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Protoceratium cf. reticulatum | Ref. |
|
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