| Name |
Scabrioside D
(-)-Scabrioside D |
| Formula |
C59H96O27 |
| Mw |
1236.61389786 |
| CAS RN |
212065-90-2 |
| C_ID |
C00044307
, 
|
| InChIKey |
KKZXMLYSEGPOCJ-GHXIBWSGNA-N |
| InChICode |
InChI=1S/C59H96O27/c1-23-11-16-59(53(75)86-50-43(73)40(70)37(67)29(82-50)22-78-48-41(71)38(68)35(65)27(19-60)80-48)18-17-56(6)25(47(59)58(23,8)76)9-10-31-55(5)14-13-32(54(3,4)30(55)12-15-57(31,56)7)83-52-46(34(64)26(62)21-77-52)85-51-44(74)45(33(63)24(2)79-51)84-49-42(72)39(69)36(66)28(20-61)81-49/h9,23-24,26-52,60-74,76H,10-22H2,1-8H3/t23-,24+,26+,27-,28-,29-,30+,31-,32+,33+,34+,35-,36-,37-,38-,39+,40+,41-,42-,43-,44-,45-,46-,47-,48-,49+,50+,51+,52+,55+,56-,57-,58-,59+/m1/s1 |
| SMILES |
[C@@H]1(O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)[C@]12CC[C@H]([C@]([C@H]1C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)C)O)O)C)C)(O)C)C)O)O)O)CO |
| Start Substs in Alk. Biosynthesis (Prediction) |
|
| Organism |
| Kingdom |
Family |
Species |
Reference |
| Plantae | Dipsacaceae/Diervillaceae/Linnaeaceae/Valerianaceae | Scabiosa rotata | Ref. |
|
|
zoom in
|
