Name |
Deglucocyclamin |
Formula |
C52H84O22 |
Mw |
1060.54542437 |
CAS RN |
23643-61-0 |
C_ID |
C00050053
,
|
InChIKey |
JXTOWLUQSHIIDP-VEISLKGNNA-N |
InChICode |
InChI=1S/C52H84O22/c1-46(2)27-7-11-49(5)28(8-12-52-29-15-47(3,21-55)13-14-51(29,22-68-52)30(57)16-50(49,52)6)48(27,4)10-9-31(46)72-44-40(74-43-39(65)36(62)33(59)24(17-53)69-43)35(61)26(20-67-44)71-45-41(37(63)34(60)25(18-54)70-45)73-42-38(64)32(58)23(56)19-66-42/h21,23-45,53-54,56-65H,7-20,22H2,1-6H3/t23-,24-,25-,26+,27+,28-,29-,30-,31+,32+,33-,34-,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,47+,48-,49-,50+,51-,52+/m1/s1 |
SMILES |
C1[C@@H]2[C@]3(CC[C@]1(C)C=O)[C@@H](C[C@@]1([C@@]2(CC[C@H]2[C@]1(CC[C@@H]1[C@]2(CC[C@@H](C1(C)C)O[C@H]1[C@@H]([C@H]([C@H](CO1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C)OC3)C)O |
Start Substs in Alk. Biosynthesis (Prediction) |
|
Organism |
Kingdom |
Family |
Species |
Reference |
Plantae | Myrsinaceae | Cyclamen mirabile | Ref. |
|
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