| Name |
Montbretin A |
| Formula |
C53H64O33 |
| Mw |
1228.33298458 |
| CAS RN |
115712-92-0 |
| C_ID |
C00006047
, 
|
| InChIKey |
FHVDXUPJFGRQLV-VGGOLUDLNA-N |
| InChICode |
InChI=1S/C53H64O33/c1-15-31(62)37(68)42(73)50(77-15)81-28-14-76-49(41(72)35(28)66)83-45-23(59)8-18(9-24(45)60)44-46(36(67)30-22(58)10-19(55)11-25(30)79-44)84-52-47(39(70)32(63)16(2)78-52)86-53-48(85-51-43(74)38(69)33(64)26(12-54)80-51)40(71)34(65)27(82-53)13-75-29(61)6-4-17-3-5-20(56)21(57)7-17/h3-11,15-16,26-28,31-35,37-43,47-60,62-66,68-74H,12-14H2,1-2H3/b6-4+/t15?,16-,26-,27+,28-,31-,32-,33+,34+,35-,37-,38-,39-,40+,41+,42-,43+,47+,48+,49+,50-,51-,52-,53-/m0/s1 |
| SMILES |
c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O[C@H]1[C@@H]([C@@H]([C@@H]([C@H](O1)COC(=O)/C=C/c1ccc(c(c1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)c1cc(c(c(c1)O)O[C@@H]1[C@@H]([C@H]([C@H](CO1)O[C@@H]1O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)O)O)O)O)O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Iridaceae | Crocosmia x crocosmiiflora | Ref. |
|
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