| Name |
Amaroxocane B
(+)-Amaroxocane B |
| Formula |
C54H86O20S4 |
| Mw |
1182.45952811 |
| CAS RN |
1111098-57-7 |
| C_ID |
C00047171
, 
|
| InChIKey |
ZXUCRCNZPYIGEU-MQGSEHDINA-N |
| InChICode |
InChI=1S/C54H86O20S4/c1-28(33-11-13-35-31-21-44(70-75(57,58)59)39-23-41(55)46(72-77(63,64)65)26-52(39,7)37(31)16-18-50(33,35)5)10-15-48-54(9)25-30(49(3,4)74-54)20-43(69-48)29(2)34-12-14-36-32-22-45(71-76(60,61)62)40-24-42(56)47(73-78(66,67)68)27-53(40,8)38(32)17-19-51(34,36)6/h28-30,33-34,36-37,39-48,55-56H,10-27H2,1-9H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)/t28-,29+,30-,33-,34-,36+,37+,39-,40-,41-,42-,43-,44+,45+,46+,47+,48+,50-,51-,52-,53-,54-/m1/s1 |
| SMILES |
C[C@@H]([C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)C[C@H](OS(=O)(=O)O)[C@H](O)C[C@@H]1[C@@H](OS(=O)(=O)O)C3)[C@H]1C[C@@H]2C[C@@](C)(OC2(C)C)[C@H](CC[C@@H](C)[C@H]2CCC3=C4C[C@H](OS(=O)(=O)O)[C@H]5C[C@@H](O)[C@@H](OS(=O)(=O)O)C[C@]5(C)[C@H]4CC[C@@]32C)O1 |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| - | - | Phorbas amaranthus | Ref. |
|
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