| Name |
Montbretin B |
| Formula |
C53H64O32 |
| Mw |
1212.33806996 |
| CAS RN |
115712-91-9 |
| C_ID |
C00006046
, 
|
| InChIKey |
SMRICWFNTKFLCP-JFJKKMRONA-N |
| InChICode |
InChI=1S/C53H64O32/c1-16-31(61)37(67)42(72)50(76-16)80-28-15-75-49(41(71)35(28)65)82-45-23(58)9-19(10-24(45)59)44-46(36(66)30-22(57)11-21(56)12-25(30)78-44)83-52-47(39(69)32(62)17(2)77-52)85-53-48(84-51-43(73)38(68)33(63)26(13-54)79-51)40(70)34(64)27(81-53)14-74-29(60)8-5-18-3-6-20(55)7-4-18/h3-12,16-17,26-28,31-35,37-43,47-59,61-65,67-73H,13-15H2,1-2H3/b8-5+/t16-,17+,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 |
CC1O[C@@H](Oc2c(-c3cc(O)c(O[C@@H]4OC[C@@H](O[C@@H]5O[C@@H](C)[C@H](O)C(O)C5O)C(O)[C@H]4O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O[C@@H]2OC(COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)C(O)C2O[C@@H]2OC(CO)[C@@H](O)C(O)[C@H]2O)[C@@H](O)[C@H]1O |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Iridaceae | Crocosmia x crocosmiiflora | Ref. |
|
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